data_2l2o_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 2l2o _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 7' ' ' VAL . 9.1 p . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 112.157 0.429 . . . . 74.3 112.157 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.59 -34.05 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 75.22 111.212 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -82.45 -36.5 26.53 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.704 0.764 . . . . 73.43 109.311 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.78 -37.8 83.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.246 -1.343 . . . . 72.13 111.343 -177.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 3' ' ' VAL . 97.3 t -56.15 -47.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.022 -0.536 . . . . 71.54 110.943 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 95.4 m-20 -73.05 -30.99 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 74.21 110.953 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.436 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 55.0 tp -62.67 -43.71 98.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.485 -0.561 . . . . 73.32 109.485 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 49' ' ' THR . 50.2 tp -57.28 -50.97 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.15 -0.932 . . . . 75.33 111.023 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 8' ' ' ASN . 22.7 m -64.78 -29.85 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.478 -0.328 . . . . 75.35 111.609 -176.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 35.6 mt-10 -69.77 -48.11 60.48 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.054 -0.35 . . . . 73.12 110.054 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.5 mm-40 -60.47 -40.5 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 74.51 110.776 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' LEU . 87.9 mt -63.46 -33.11 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 75.43 110.593 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.449 ' HA ' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -64.76 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.663 -0.244 . . . . 72.43 111.241 178.352 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -45.48 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.205 0.446 . . . . 72.43 112.205 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -81.53 -23.75 37.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.011 0.374 . . . . 71.31 112.011 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.541 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -82.15 151.54 30.16 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.084 -0.579 . . . . 64.35 113.215 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -121.85 153.17 38.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.056 -0.72 . . . . 70.34 109.056 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -77.57 131.1 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.275 0.559 . . . . 74.41 111.855 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -88.88 -173.86 4.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.362 -0.835 . . . . 65.13 109.552 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.39 67.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.405 0.521 . . . . 61.14 112.405 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.32 -1.67 37.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.214 0.53 . . . . 73.11 110.977 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.06 -1.14 87.76 Favored Glycine 0 C--O 1.228 -0.242 0 C-N-CA 121.117 -0.563 . . . . 70.42 112.925 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 61.7 mttp -98.36 153.37 18.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.84 0.353 . . . . 71.2 110.874 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 15' ' ' HIS . 95.1 mt -72.86 135.69 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.294 0.569 . . . . 73.33 110.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 13.8 m -143.67 142.12 30.85 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.658 -0.701 . . . . 75.12 109.804 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.541 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 7.2 p -133.33 136.65 54.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.969 -0.382 . . . . 71.02 109.969 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.69 141.1 51.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.76 0.314 . . . . 64.35 110.787 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -51.89 -41.07 61.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.562 -0.745 . . . . 75.54 111.305 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.62 -34.16 87.53 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.993 -0.622 . . . . 75.3 112.722 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.18 -47.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.932 0.396 . . . . 71.13 110.464 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.01 -43.96 81.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 74.51 109.761 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 50.9 t80 -61.22 -37.88 84.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 74.43 110.479 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -48.02 77.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 73.33 110.77 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -41.21 84.26 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.989 -0.55 . . . . 75.24 110.845 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.85 -32.36 73.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.347 -0.388 . . . . 74.14 111.223 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 29.7 mmmt -64.0 -21.0 66.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.983 -0.448 . . . . 75.12 111.534 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -87.83 -48.25 7.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 74.51 111.351 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.91 -26.45 13.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.365 0.506 . . . . 70.44 112.365 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 m120 54.25 68.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.773 0.797 . . . . 74.24 110.172 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.03 -40.36 24.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.633 -1.167 . . . . 73.0 109.727 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -108.23 100.0 9.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.032 -0.986 . . . . 73.44 109.378 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.52 -30.59 67.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.107 0.479 . . . . 74.22 110.423 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.14 84.56 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 75.25 109.601 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.66 -44.68 89.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 73.43 110.993 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.39 -45.81 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.416 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.99 92.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.069 -0.586 . . . . 72.13 112.798 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.537 HG21 HD22 ' A' ' 10' ' ' LEU . 27.6 m -67.42 -42.18 83.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 71.0 110.205 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.02 -44.89 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.954 -0.566 . . . . 74.51 110.527 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -58.35 -46.28 86.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.856 -0.611 . . . . 73.13 111.088 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.1 -46.45 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 73.52 111.257 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.03 58.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 54.1 111.25 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -73.89 -32.24 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.893 -0.41 . . . . 60.42 109.893 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.502 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 3.0 mmp_? -73.39 -29.9 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.862 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -84.58 0.92 48.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 75.04 110.858 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 57' ' ' LYS . 2.1 mppt? 58.29 30.22 19.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.879 -0.6 . . . . 73.45 110.575 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.565 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 77.6 mt -83.97 -40.61 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.606 -0.725 . . . . 73.13 109.452 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.71 155.98 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 75.04 109.982 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.558 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.6 t -134.42 147.69 50.5 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.608 -0.516 . . . . 75.5 109.608 173.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -157.37 136.08 7.82 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.857 -0.611 . . . . 70.11 109.419 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.772 ' HD2' HG12 ' A' ' 74' ' ' VAL . 35.0 Cg_exo . . . . . 0 N--CA 1.463 -0.322 0 C-N-CA 122.357 2.038 . . . . 53.13 111.736 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.7 m80 . . . . . 0 C--O 1.226 -0.152 0 CA-C-O 120.945 0.403 . . . . 75.31 110.099 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -67.85 -21.85 65.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.516 . . . . 74.32 111.682 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 -4.07 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.223 0.535 . . . . 51.52 110.983 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.772 HG12 ' HD2' ' A' ' 62' ' ' PRO . 51.3 t -73.96 119.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.915 -0.584 . . . . 60.32 110.614 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.51 124.71 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 75.13 110.449 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 27' ' ' SER . 7.7 mm -85.22 108.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.283 -1.006 . . . . 75.14 108.283 175.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -92.42 126.69 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.323 -0.399 . . . . 73.51 111.167 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.456 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 34.9 tp -80.26 110.16 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.539 -0.541 . . . . 72.41 109.539 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.558 HD11 ' HB ' ' A' ' 60' ' ' THR . 85.7 mt -88.87 -43.48 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.215 0.531 . . . . 75.2 110.233 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.9 tt0 -114.09 131.92 56.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.544 -0.753 . . . . 73.14 109.358 -177.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--N 1.317 -0.818 0 CA-C-O 121.453 0.644 . . . . 61.03 111.608 -176.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 7' ' ' VAL . 14.4 p . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 112.372 0.508 . . . . 75.23 112.372 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.86 86.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.003 0.43 . . . . 63.43 110.247 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -79.9 -31.67 40.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 74.32 111.022 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 64.21 110.101 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 3' ' ' VAL . 67.0 t -61.18 -44.06 97.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.184 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 34.2 m-20 -61.64 -43.04 99.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.437 -0.579 . . . . 73.32 109.437 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 42' ' ' LEU . 60.0 tp -63.41 -35.39 80.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.598 . . . . 74.23 109.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.692 HD23 HG22 ' A' ' 49' ' ' THR . 44.6 tp -60.69 -52.25 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 74.42 110.139 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 8' ' ' ASN . 30.8 m -67.27 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.472 -0.331 . . . . 73.51 110.959 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.566 ' HB3' HH21 ' A' ' 16' ' ' ARG . 42.5 mt-10 -61.93 -50.49 71.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 73.1 110.567 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -66.69 -40.81 88.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 65.5 110.924 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' LEU . 93.0 mt -60.26 -33.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 72.31 110.717 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.473 ' HA ' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 72.41 111.535 177.423 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.566 HH21 ' HB3' ' A' ' 12' ' ' GLU . 25.3 mtm-85 -88.21 -25.69 22.76 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.573 0.953 . . . . 73.31 113.573 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -97.25 -16.54 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.217 -0.302 . . . . 72.12 111.1 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.56 21.68 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.844 -0.693 . . . . 52.54 112.891 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -125.4 155.53 40.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.55 -0.537 . . . . 62.45 109.55 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -85.94 133.73 33.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.501 . . . . 72.54 111.273 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -87.04 -175.18 5.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.524 -0.762 . . . . 72.11 110.823 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -26.49 67.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 61.54 111.679 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.449 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t70 -79.17 -16.81 56.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 73.22 110.628 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.24 4.01 59.93 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.98 -0.629 . . . . 73.05 112.293 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 61.6 mttp -91.93 149.25 21.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.622 0.249 . . . . 71.45 110.401 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 15' ' ' HIS . 74.2 mt -77.26 144.48 38.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 73.23 110.528 176.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -143.22 141.8 31.2 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.583 -0.525 . . . . 74.11 109.583 174.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.92 137.28 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.723 -0.473 . . . . 75.01 109.723 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -74.29 129.07 37.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.991 0.424 . . . . 74.31 110.791 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 85.2 t80 -55.8 -41.5 74.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.276 -0.875 . . . . 74.54 111.766 -175.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.27 -39.8 93.05 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.862 -0.685 . . . . 73.43 112.514 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.06 -49.99 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.645 0.259 . . . . 74.53 110.403 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.36 -46.24 89.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.692 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.56 -47.99 81.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 74.53 110.817 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 ttm105 -67.55 -35.16 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.497 . . . . 74.21 110.589 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.04 -50.16 51.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.095 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.77 -44.95 90.77 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.879 -0.6 . . . . 73.1 111.564 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.945 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -66.73 -19.37 65.74 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.58 -0.448 . . . . 71.51 111.475 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -88.19 -34.75 17.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.002 0.43 . . . . 71.24 111.13 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.16 -30.46 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.181 0.437 . . . . 64.3 112.181 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.62 60.22 0.47 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.566 0.746 . . . . 71.1 110.109 -173.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 9' ' ' LEU . 79.1 mt -81.87 -49.19 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.944 -1.025 . . . . 74.14 110.303 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.8 126.16 47.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.655 -0.702 . . . . 75.13 110.29 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.08 69.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.698 0.761 . . . . 74.33 109.132 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.26 84.23 2.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.866 . . . . 74.35 109.983 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.24 -48.4 81.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 70.32 110.921 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.96 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 75.53 110.632 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.36 96.9 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.966 -0.635 . . . . 53.52 112.166 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.692 HG22 HD23 ' A' ' 10' ' ' LEU . 32.0 m -63.26 -45.75 90.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.076 0.465 . . . . 75.22 110.522 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.57 -46.02 91.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.681 -0.69 . . . . 70.12 111.032 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -44.02 95.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 72.55 111.721 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -55.5 -52.12 64.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.923 -0.58 . . . . 73.53 111.042 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.667 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -72.33 -33.14 67.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 72.02 111.456 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.6 -38.53 87.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 75.44 110.43 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 19.3 mmt180 -76.16 -21.3 56.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.421 -0.354 . . . . 72.44 111.612 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.74 ' HB2' HG12 ' A' ' 58' ' ' ILE . 99.8 mtt180 -88.22 -0.01 56.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.573 0.225 . . . . 75.42 110.861 176.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 58.76 30.41 19.98 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.234 0.54 . . . . 73.05 110.756 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.74 HG12 ' HB2' ' A' ' 56' ' ' ARG . 33.9 mm -76.66 -45.1 33.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.47 -0.937 . . . . 73.41 108.47 173.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.71 166.74 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.036 -0.983 . . . . 74.24 109.792 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.408 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.8 t -145.52 148.2 32.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.323 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -162.2 133.5 3.83 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.558 -0.746 . . . . 75.13 109.899 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo . . . . . 0 N--CA 1.459 -0.501 0 C-N-CA 122.668 2.245 . . . . 65.55 112.157 -179.475 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.471 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 15.4 m-70 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.602 0.239 . . . . 72.21 110.603 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.94 -39.32 68.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.739 -0.664 . . . . 74.2 111.553 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -96.18 -0.98 49.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.115 0.483 . . . . 75.01 111.159 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.19 121.93 27.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.074 0.464 . . . . 73.3 110.603 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.6 122.43 27.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.453 -0.794 . . . . 71.11 110.898 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.5 mm -85.66 112.79 22.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.395 -0.965 . . . . 72.2 108.395 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.9 mt -92.43 130.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.073 0.463 . . . . 73.54 111.843 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -85.45 113.33 21.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.354 -0.839 . . . . 74.21 109.928 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.408 HD11 ' HB ' ' A' ' 60' ' ' THR . 91.2 mt -86.16 -42.09 14.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.375 -0.375 . . . . 73.4 110.41 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -117.68 132.26 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 75.13 109.707 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--N 1.322 -0.587 0 CA-C-O 121.128 0.489 . . . . 62.11 110.372 -178.228 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.553 ' O ' HG21 ' A' ' 7' ' ' VAL . 13.3 p . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.579 0.228 . . . . 74.21 111.483 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.08 -44.14 94.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 62.01 110.471 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -79.62 -27.05 41.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 72.41 111.157 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.64 -29.8 70.42 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.864 -0.421 . . . . 72.15 109.864 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.586 HG13 ' HB1' ' A' ' 53' ' ' ALA . 95.8 t -65.32 -42.03 92.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.205 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.55 -31.87 72.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.305 0.574 . . . . 72.1 110.298 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 42' ' ' LEU . 67.2 tp -69.06 -43.55 74.42 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.519 -0.548 . . . . 74.51 109.519 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 49' ' ' THR . 56.4 tp -56.76 -47.12 80.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.302 -0.863 . . . . 75.34 111.172 178.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.502 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 18.9 m -66.43 -34.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 64.53 111.101 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -41.86 98.11 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.77 -0.456 . . . . 74.0 109.77 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 41.9 mm-40 -61.15 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.858 -0.61 . . . . 75.32 110.162 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -68.5 -34.32 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 72.51 110.836 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.726 ' HA ' HD13 ' A' ' 26' ' ' LEU . 20.9 m-70 -60.15 -36.11 76.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.156 0.503 . . . . 73.35 110.478 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 16' ' ' ARG . 24.6 ttm105 -86.67 -47.42 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.776 . . . . 72.14 111.855 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.6 -22.81 22.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 72.34 111.775 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.6 164.38 29.11 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.695 -0.764 . . . . 70.23 112.722 -174.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -121.83 150.23 42.21 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.89 -0.411 . . . . 71.25 109.89 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -78.07 123.77 27.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.219 0.533 . . . . 74.31 111.051 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.06 -172.22 1.03 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.19 -0.914 . . . . 73.52 111.072 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -29.2 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 75.51 111.903 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -86.82 -13.48 44.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.355 0.597 . . . . 74.33 110.955 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.7 6.54 59.45 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.617 -0.802 . . . . 72.11 112.194 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -83.69 130.06 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.995 -0.372 . . . . 74.43 109.995 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 15' ' ' HIS . 44.7 mt -75.98 127.15 32.38 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.066 -0.515 . . . . 74.13 110.793 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.4 p -129.66 145.05 51.54 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 116.147 -0.479 . . . . 73.32 110.314 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.88 138.41 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.607 -0.724 . . . . 75.24 109.561 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.566 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 91.8 mttt -67.65 134.0 50.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.097 0.475 . . . . 73.24 110.577 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CE1' HD12 ' A' ' 50' ' ' LEU . 28.6 t80 -60.0 -26.37 66.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.288 -0.869 . . . . 62.44 110.597 -178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.52 -36.61 93.42 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.588 -0.815 . . . . 75.33 112.031 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -76.45 -47.81 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.894 0.378 . . . . 71.51 110.376 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.99 -46.08 89.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.749 -0.659 . . . . 65.42 110.286 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.431 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 86.5 t80 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.41 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -59.88 -46.69 88.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 74.41 111.053 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.03 -38.75 82.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 74.23 111.212 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.2 -31.15 70.47 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.769 -0.372 . . . . 70.52 110.653 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 26.8 mmmt -56.48 -24.72 47.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.024 -0.422 . . . . 74.55 111.329 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -88.48 -22.85 23.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.244 0.461 . . . . 64.54 112.244 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.53 -34.6 3.58 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.679 0.622 . . . . 74.23 112.679 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 48.01 70.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.578 0.704 . . . . 75.44 110.513 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HB3' HD22 ' A' ' 9' ' ' LEU . 92.1 mt -80.79 -29.72 36.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.099 -0.955 . . . . 74.03 108.873 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 10' ' ' LEU . 21.6 m-85 -108.0 124.85 50.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.605 -1.18 . . . . 75.41 109.196 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.3 -37.91 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 72.24 109.568 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.43 86.61 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.596 -0.729 . . . . 73.14 109.561 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.414 HD13 ' CD2' ' A' ' 43' ' ' PHE . 44.5 tp -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 70.43 111.519 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 62.5 t -65.94 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 73.2 109.95 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.1 -41.87 52.91 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.799 -0.637 . . . . 73.33 111.926 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.45 HG21 HD21 ' A' ' 10' ' ' LEU . 7.0 m -59.32 -38.66 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.938 0.399 . . . . 65.42 110.465 176.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 30' ' ' PHE . 90.0 mt -61.49 -41.9 97.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.931 -0.577 . . . . 73.24 110.832 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 33.7 mmtm -56.2 -48.87 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 74.22 110.634 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.97 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.832 -0.622 . . . . 75.42 111.418 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB1' HG13 ' A' ' 7' ' ' VAL . . . -71.47 -38.29 71.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.828 -0.624 . . . . 74.32 111.648 -175.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.588 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 84.6 tttt -63.14 -42.8 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 73.4 110.242 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 9.0 mmt85 -77.78 -14.84 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 71.32 111.253 -177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HB2' HG12 ' A' ' 58' ' ' ILE . 90.4 mtt180 -91.95 4.02 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 72.43 110.942 173.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.16 25.04 15.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.117 0.485 . . . . 75.0 111.045 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.576 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.1 mm -78.42 -44.18 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.973 -0.751 . . . . 74.4 108.973 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.5 m -136.04 163.66 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.294 -0.867 . . . . 73.33 109.797 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.502 ' HB ' HD13 ' A' ' 79' ' ' LEU . 11.1 t -142.54 147.99 36.84 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.846 0.355 . . . . 72.51 110.071 174.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.588 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 14.2 p90 -159.05 145.93 12.81 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.555 -0.535 . . . . 73.13 109.555 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.442 ' HD2' HG12 ' A' ' 74' ' ' VAL . 32.1 Cg_exo . . . . . 0 C--O 1.233 0.268 0 C-N-CA 122.877 2.385 . . . . 73.4 112.448 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.429 ' HA ' HG22 ' A' ' 74' ' ' VAL . 1.4 p-80 . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 111.745 0.276 . . . . 63.44 111.745 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 8.7 p-10 -71.13 -31.45 67.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.219 0.451 . . . . 75.04 112.219 -169.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.566 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 17.6 t70 -94.36 1.85 55.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.086 0.469 . . . . 74.5 110.889 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.442 HG12 ' HD2' ' A' ' 62' ' ' PRO . 21.1 t -75.11 114.74 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.577 -177.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.69 117.75 21.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.62 0.247 . . . . 75.41 110.412 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.12 108.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.885 -1.154 . . . . 71.25 107.885 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.7 mt -96.02 124.77 48.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.248 0.547 . . . . 75.43 111.444 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.97 111.17 16.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.216 -0.902 . . . . 75.2 109.595 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.502 HD13 ' HB ' ' A' ' 60' ' ' THR . 78.0 mt -86.46 -38.67 17.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.93 -0.577 . . . . 75.4 110.499 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -102.67 131.22 49.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.149 -0.478 . . . . 72.14 109.735 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.5 t0 . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 108.94 -0.763 . . . . 73.34 108.94 177.256 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 7' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 111.62 0.23 . . . . 75.2 111.62 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.45 -41.06 88.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.168 0.508 . . . . 72.55 110.659 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -79.75 -26.64 40.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.885 -0.598 . . . . 72.41 110.123 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 5.3 mm-40 -66.81 -29.71 69.72 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.786 -0.45 . . . . 74.11 109.786 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 3' ' ' VAL . 46.2 t -64.72 -37.61 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.232 0.539 . . . . 75.21 109.792 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -64.35 -37.75 88.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.898 -0.778 . . . . 65.35 108.898 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 60.0 tp -63.64 -39.25 93.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.73 -0.668 . . . . 74.41 109.558 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 50' ' ' LEU . 61.0 tp -60.68 -50.64 72.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.389 -0.823 . . . . 74.22 111.122 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.484 HG22 ' HA ' ' A' ' 8' ' ' ASN . 16.5 m -66.15 -29.55 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 74.15 111.304 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 46.0 mt-10 -61.97 -43.18 99.37 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-O 120.823 0.345 . . . . 62.54 110.217 174.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.12 -35.01 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 71.03 111.012 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 11' ' ' VAL . 85.8 mt -63.02 -37.02 78.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.312 0.577 . . . . 74.25 109.904 174.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -70.58 -30.41 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.797 -0.638 . . . . 74.01 111.426 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -84.67 -44.5 13.36 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.101 0.408 . . . . 73.52 112.101 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.524 HD11 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -105.06 -2.61 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.693 0.256 . . . . 73.22 111.693 -175.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.01 -176.82 24.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.513 -0.851 . . . . 70.44 112.89 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -144.32 156.6 44.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.608 -0.515 . . . . 54.55 109.608 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -83.9 135.99 34.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.322 0.582 . . . . 73.13 111.41 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -87.93 -176.04 5.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.231 -0.895 . . . . 72.41 110.242 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -14.34 62.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.396 . . . . 74.35 112.068 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -87.65 -13.63 42.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.967 0.413 . . . . 71.13 110.343 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.51 3.79 61.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 74.13 111.96 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -96.97 148.44 22.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.765 0.317 . . . . 72.04 110.54 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.76 146.64 47.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.168 0.509 . . . . 74.31 110.357 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -143.23 142.09 31.29 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.875 -0.787 . . . . 70.02 108.875 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG11 HD11 ' A' ' 33' ' ' LEU . 7.1 p -139.87 142.23 32.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 110.15 -0.315 . . . . 73.34 110.15 -177.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HB2' HG21 ' A' ' 32' ' ' VAL . 74.9 mmtt -72.46 131.02 42.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.016 0.436 . . . . 73.33 110.51 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.681 ' HD2' ' HB3' ' A' ' 71' ' ' HIS . 65.5 t80 -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.23 -0.896 . . . . 71.02 110.333 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.65 ' HA3' ' HA ' ' A' ' 72' ' ' ASP . . . -58.82 -36.22 86.02 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.569 -0.741 . . . . 62.44 112.555 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 29' ' ' LYS . 58.3 t -71.1 -48.03 57.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.818 -0.438 . . . . 74.42 109.818 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.524 HD23 HD11 ' A' ' 17' ' ' LEU . 20.9 mt -62.44 -47.61 83.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.604 -0.725 . . . . 75.11 111.272 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.87 -40.05 94.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.304 -0.407 . . . . 74.42 110.884 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -69.38 -51.71 34.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.134 -0.484 . . . . 72.5 111.344 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.52 -37.55 80.12 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.795 0.331 . . . . 74.44 110.513 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.29 -49.08 75.42 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.091 -0.504 . . . . 75.25 111.348 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 34.4 mmtm -69.73 -13.92 62.53 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.615 -0.434 . . . . 73.54 111.248 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 t -87.9 -25.19 23.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.917 0.389 . . . . 75.43 110.911 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.32 -30.68 9.0 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.916 0.389 . . . . 75.24 111.797 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.6 m120 69.94 51.36 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.171 0.988 . . . . 72.33 110.892 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -82.28 -48.71 10.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.249 -0.887 . . . . 74.25 109.902 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -118.14 98.24 6.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.59 -0.732 . . . . 74.1 109.318 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.12 -46.48 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.505 -0.554 . . . . 75.51 109.505 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.16 84.1 1.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.915 -0.584 . . . . 70.12 110.077 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.64 -39.6 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.625 . . . . 74.2 110.377 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.581 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 51.3 t -63.43 -39.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.777 -0.647 . . . . 74.21 110.627 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.45 86.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.774 -0.727 . . . . 74.51 112.163 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -58.72 -38.66 78.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 71.15 110.876 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.683 HD21 HD22 ' A' ' 10' ' ' LEU . 88.5 mt -64.84 -44.52 89.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.082 -0.508 . . . . 75.32 111.283 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 14.2 mmmm -63.36 -39.48 94.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.618 0.247 . . . . 74.02 110.428 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -51.78 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.412 0.625 . . . . 70.35 110.509 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -73.62 -27.7 61.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.457 -0.792 . . . . 72.12 111.607 -177.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 59.8 tttm -72.3 -34.29 68.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.85 0.357 . . . . 74.14 110.215 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.96 -27.45 60.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.459 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -89.11 1.91 54.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.387 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 51.64 37.14 19.15 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 115.445 -0.798 . . . . 75.25 111.89 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.53 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 63.0 mt -82.52 -37.26 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 114.792 -1.094 . . . . 63.4 108.412 171.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -131.41 160.9 42.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.04 -0.982 . . . . 73.52 109.606 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.2 t -145.31 147.25 32.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 74.43 110.271 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 12.9 p90 -160.66 155.65 20.79 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.637 -0.875 . . . . 75.52 108.637 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--N 1.343 0.243 0 C-N-CA 122.351 2.034 . . . . 72.1 113.221 -175.707 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.681 ' HB3' ' HD2' ' A' ' 30' ' ' PHE . 39.8 m80 . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.009 0.374 . . . . 75.32 112.009 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.65 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 20.9 t70 -60.07 -38.51 83.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.047 0.758 . . . . 75.12 113.047 -168.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 23.5 t0 -97.3 6.67 47.97 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.32 -0.552 . . . . 74.54 111.668 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.24 116.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 70.01 110.271 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.28 116.39 22.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 63.03 110.708 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.8 mm -86.26 108.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.975 -1.12 . . . . 73.1 107.975 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -94.01 128.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 74.41 111.028 -173.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.2 tp -85.3 110.55 19.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.813 -0.631 . . . . 71.33 109.963 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.92 -42.39 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.252 0.549 . . . . 75.51 110.184 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.51 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 8.0 tt0 -108.7 130.94 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.391 -0.822 . . . . 75.02 108.983 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 46.7 t0 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 121.131 0.491 . . . . 75.33 110.341 -177.103 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.8 p . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.988 0.736 . . . . 74.11 112.988 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.58 -36.8 83.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.893 0.378 . . . . 70.42 110.632 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -67.98 -40.01 83.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 74.3 110.463 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.09 -42.28 80.42 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.458 0.474 . . . . 75.35 110.201 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 3' ' ' VAL . 94.0 t -60.07 -47.17 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 115.994 -0.548 . . . . 72.45 111.419 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.7 t30 -70.56 -37.55 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 73.03 110.103 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.749 HD21 ' HB3' ' A' ' 42' ' ' LEU . 66.3 tp -60.07 -40.35 89.2 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.433 -0.58 . . . . 74.42 109.433 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 HG23 ' A' ' 49' ' ' THR . 53.3 tp -57.85 -51.48 69.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.451 -0.795 . . . . 74.24 110.946 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG21 ' O ' ' A' ' 8' ' ' ASN . 19.6 m -66.42 -30.19 49.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.421 -0.354 . . . . 74.32 111.329 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 43.5 mt-10 -67.8 -45.15 75.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.926 0.393 . . . . 73.22 110.216 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 30.6 mm-40 -64.83 -37.77 88.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.997 -0.547 . . . . 73.44 111.205 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 10' ' ' LEU . 77.6 mt -63.82 -33.65 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 74.31 110.11 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -63.78 -39.88 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.42 111.637 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HD3' ' OE1' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -87.24 -36.62 17.85 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.913 0.338 . . . . 74.24 111.913 -177.002 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.5 tp -93.43 -18.96 21.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.074 0.398 . . . . 75.15 112.074 -170.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.05 -171.56 32.57 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.478 -0.868 . . . . 75.22 113.151 -174.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -143.49 155.69 44.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.628 -0.878 . . . . 74.41 108.628 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -83.57 134.97 34.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.437 0.637 . . . . 64.32 111.481 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.498 HD22 ' HB2' ' A' ' 27' ' ' SER . 92.2 m-20 -81.26 178.0 8.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.091 -0.959 . . . . 64.33 110.324 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.27 -13.56 62.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.228 0.537 . . . . 73.44 110.254 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.61 -18.32 54.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.448 -0.796 . . . . 71.22 109.485 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.46 65.41 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.792 -0.64 . . . . 73.13 112.253 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 55.5 mttp -98.88 151.76 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.769 -0.253 . . . . 74.13 111.039 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.52 146.48 46.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 62.3 110.718 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.517 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 30.6 t -144.25 152.5 40.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.777 -0.453 . . . . 70.03 109.777 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.84 141.65 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.952 -0.299 . . . . 61.51 111.064 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 3.1 mmmp? -62.28 136.55 57.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.562 0.22 . . . . 72.31 110.786 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.28 -42.59 77.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.502 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.471 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -62.54 -35.55 91.94 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.734 -0.667 . . . . 71.4 112.987 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 29' ' ' LYS . 76.9 t -69.45 -47.8 70.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.907 0.384 . . . . 73.31 110.39 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.3 tt -62.36 -45.76 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 64.54 109.725 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 54.3 t80 -60.88 -45.13 95.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 75.21 110.663 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -58.87 -50.8 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 75.32 111.653 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.91 -38.41 79.55 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.094 -0.336 . . . . 75.53 110.094 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.15 -49.79 70.92 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.4 -0.364 . . . . 64.42 110.848 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 28.2 mtpp -57.1 -14.03 3.5 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.874 0.694 . . . . 73.24 112.874 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -65.59 -37.0 85.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 74.12 110.145 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.85 -17.82 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 45.14 111.087 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.463 HD21 ' HA ' ' A' ' 41' ' ' ASN . 2.0 m120 53.32 68.99 0.75 Allowed 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.916 0.865 . . . . 73.1 109.81 -170.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.749 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.1 mt -80.39 -35.76 34.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.422 -1.263 . . . . 73.33 109.515 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -97.8 114.54 26.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.441 -0.799 . . . . 74.41 109.764 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.93 -44.59 91.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 73.3 109.857 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.7 95.2 3.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.302 -0.863 . . . . 64.25 109.776 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 54.4 tp -57.65 -37.83 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 72.45 111.305 -176.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.06 -42.59 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 63.13 110.692 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.23 -42.32 94.29 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.156 -0.545 . . . . 72.12 111.902 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 HD22 ' A' ' 10' ' ' LEU . 8.8 m -57.24 -40.93 78.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.931 0.396 . . . . 71.11 110.728 175.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.7 mt -65.02 -45.6 84.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.003 -0.544 . . . . 75.3 110.491 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 24.9 mmmt -53.69 -45.72 70.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.04 -0.527 . . . . 73.23 111.013 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.01 73.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.715 -0.675 . . . . 54.22 111.474 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -26.93 61.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.077 -0.51 . . . . 73.14 111.734 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 63.2 tttm -70.36 -38.75 74.85 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 74.21 110.458 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -72.77 -26.59 61.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.75 0.309 . . . . 63.41 110.925 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.07 3.03 40.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 75.01 110.489 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 58.91 28.87 18.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.639 -0.71 . . . . 71.52 111.452 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.656 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.9 mt -85.2 -36.54 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.35 -0.841 . . . . 74.53 109.843 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.53 161.37 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.189 -0.459 . . . . 71.04 110.225 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.645 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.1 t -141.93 147.67 37.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.15 0.5 . . . . 73.35 110.503 175.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.446 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 5.0 p90 -161.77 140.91 7.42 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.569 -0.901 . . . . 71.4 108.569 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.72 ' HD2' HG12 ' A' ' 74' ' ' VAL . 73.9 Cg_exo . . . . . 0 C--N 1.347 0.465 0 C-N-CA 122.802 2.334 . . . . 74.41 112.835 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 N-CA-C 111.697 0.258 . . . . 74.34 111.697 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.471 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 3.7 t70 -54.78 -32.52 60.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.114 0.483 . . . . 75.34 111.502 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.0 p-10 -85.64 8.5 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 75.13 111.207 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.72 HG12 ' HD2' ' A' ' 62' ' ' PRO . 40.6 t -82.9 125.65 40.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.177 0.513 . . . . 73.11 109.902 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.517 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 33.9 m-20 -91.09 126.17 36.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.583 -0.735 . . . . 74.55 109.99 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -85.77 108.54 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.77 -0.826 . . . . 75.34 108.77 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -94.41 129.73 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.231 -0.44 . . . . 65.31 110.976 -174.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 27.5 tp -81.87 110.77 17.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.645 -0.707 . . . . 64.22 109.557 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.6 mt -89.77 -29.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.292 -0.413 . . . . 74.54 110.966 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.656 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -128.55 131.9 48.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.352 -0.61 . . . . 75.04 109.352 -175.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 t0 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.238 0.542 . . . . 75.24 111.598 -174.285 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.582 ' O ' HG21 ' A' ' 7' ' ' VAL . 14.0 p . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.58 -0.526 . . . . 64.45 109.58 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.33 -38.3 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.753 -0.658 . . . . 75.53 110.386 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -72.71 -33.62 66.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 72.23 109.654 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.33 -38.43 91.02 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.068 -0.515 . . . . 71.22 110.143 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 3' ' ' VAL . 57.5 t -63.41 -42.12 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 73.43 110.939 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.22 -31.78 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.348 0.594 . . . . 75.4 110.154 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 42' ' ' LEU . 63.8 tp -71.0 -39.43 72.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.842 -0.617 . . . . 73.43 109.603 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.686 HD22 HG23 ' A' ' 49' ' ' THR . 58.7 tp -57.56 -51.8 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.529 -0.76 . . . . 74.41 110.548 178.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.553 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 27.8 m -61.13 -35.35 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 73.14 110.745 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -45.54 86.25 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.94 0.4 . . . . 74.01 110.218 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -64.39 -30.86 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 70.21 111.245 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 10' ' ' LEU . 78.2 mt -69.0 -34.12 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.829 0.347 . . . . 72.34 110.116 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 33.5 m-70 -70.63 -34.03 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.958 0.409 . . . . 71.53 110.601 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -81.36 -49.21 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.656 0.613 . . . . 73.4 112.656 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.27 -12.05 19.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.787 0.327 . . . . 73.2 111.141 -174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.44 159.81 26.36 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.612 -0.804 . . . . 74.44 112.924 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -120.64 157.41 29.63 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.022 -1.103 . . . . 65.43 108.022 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -76.41 135.99 39.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.245 1.021 . . . . 75.42 111.833 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 9.6 t-20 -72.61 -177.67 2.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.118 -1.855 . . . . 63.42 110.416 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.29 -24.79 59.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.768 0.794 . . . . 72.42 109.256 173.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -80.47 -17.12 52.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.526 -1.216 . . . . 65.23 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.76 2.25 61.41 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.841 -0.695 . . . . 71.34 111.932 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 62.5 mttp -88.96 141.42 28.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.615 -0.292 . . . . 73.41 110.561 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HB3' HG21 ' A' ' 14' ' ' ILE . 4.0 mm? -66.33 136.44 55.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.019 -0.363 . . . . 73.41 110.019 175.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 m -143.31 142.03 31.18 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.781 0.324 . . . . 74.14 110.365 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.75 137.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.146 -0.479 . . . . 62.01 109.799 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HZ3' ' CG ' ' A' ' 75' ' ' ASP . 67.0 mttm -71.99 137.27 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.88 -0.328 . . . . 73.24 110.211 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.2 t80 -52.64 -37.52 58.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 75.0 111.202 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.2 95.11 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.13 -0.557 . . . . 62.02 112.81 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.77 -44.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 75.5 110.421 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.06 -46.31 88.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 74.13 110.113 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.575 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 52.3 t80 -64.23 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 70.23 110.284 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -57.19 -48.09 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 73.12 110.949 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -36.82 76.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.882 -0.599 . . . . 74.15 110.508 -175.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.54 -31.62 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.14 110.896 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 57.1 mtpt -66.17 -26.64 67.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.369 . . . . 60.24 110.706 176.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m -87.84 -47.35 8.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 73.03 111.144 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.14 -30.07 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.185 0.439 . . . . 61.32 112.185 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 m120 61.55 57.64 2.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.38 0.609 . . . . 64.4 110.405 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.804 ' HB3' HD22 ' A' ' 9' ' ' LEU . 97.0 mt -82.3 -46.78 13.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 75.05 111.31 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CD2' HD12 ' A' ' 46' ' ' LEU . 70.4 m-85 -95.28 123.06 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 74.0 110.856 -173.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -71.85 -34.24 69.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.174 -0.466 . . . . 72.14 109.783 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.78 84.35 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 73.42 110.332 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.5 HD22 ' HD1' ' A' ' 34' ' ' PHE . 46.3 tp -61.7 -41.74 98.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.739 0.304 . . . . 73.03 111.424 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.08 -36.24 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 74.3 110.265 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -38.0 76.49 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.971 -0.633 . . . . 43.34 111.64 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.686 HG23 HD22 ' A' ' 10' ' ' LEU . 6.6 m -58.56 -45.63 88.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.024 0.44 . . . . 64.54 110.183 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.31 -51.32 69.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.563 -0.744 . . . . 75.13 110.811 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 26.8 mmmt -56.26 -48.34 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 75.13 111.22 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 56' ' ' ARG . . . -57.58 -53.6 56.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.65 . . . . 72.31 111.404 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB1' HG12 ' A' ' 7' ' ' VAL . . . -68.3 -38.43 81.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.088 -0.506 . . . . 74.4 111.928 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 80.9 tttt -63.35 -46.74 85.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.958 0.408 . . . . 75.42 110.314 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 17.9 mmt180 -76.78 -15.21 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.08 -0.509 . . . . 74.42 111.365 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HD3' HD12 ' A' ' 58' ' ' ILE . 11.9 ttt180 -90.25 1.69 56.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.269 -0.423 . . . . 74.14 110.165 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.04 28.34 12.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.26 -0.882 . . . . 72.35 111.244 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.752 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 83.6 mt -91.92 -36.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.231 -0.895 . . . . 71.41 110.229 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 m -137.52 163.19 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.27 -0.423 . . . . 65.21 109.876 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.67 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.2 t -140.11 146.5 38.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.85 -0.426 . . . . 64.13 109.85 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -166.87 147.42 5.07 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.566 -0.743 . . . . 74.11 109.409 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo . . . . . 0 C--O 1.235 0.329 0 C-N-CA 122.538 2.159 . . . . 74.52 111.683 177.503 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 16.7 t-160 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 111.313 0.116 . . . . 73.32 111.313 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.81 -38.36 78.44 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.292 0.479 . . . . 72.13 112.292 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -91.75 1.91 56.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 71.52 111.092 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.34 125.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.148 -0.478 . . . . 74.53 110.608 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' CG ' ' HZ3' ' A' ' 29' ' ' LYS . 8.6 m-20 -84.28 120.14 25.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.438 -0.801 . . . . 75.0 110.359 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.44 116.9 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.858 -0.793 . . . . 74.33 108.858 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.47 128.82 52.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.82 0.343 . . . . 75.03 111.274 -173.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -80.35 122.51 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 64.31 110.364 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.67 HD11 ' HB ' ' A' ' 60' ' ' THR . 92.3 mt -99.4 -36.62 9.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 74.22 110.573 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.752 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 6.0 tt0 -127.9 133.54 49.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.822 -0.626 . . . . 73.11 109.768 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.3 t0 . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.32 -0.622 . . . . 73.43 109.32 177.1 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.538 ' O ' HG21 ' A' ' 7' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 112.704 0.631 . . . . 73.12 112.704 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.58 -48.39 77.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.43 0.633 . . . . 73.42 109.729 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.04 -37.2 78.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.212 -0.903 . . . . 75.52 110.776 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.453 ' CG ' ' HA ' ' A' ' 3' ' ' VAL . 4.7 mm-40 -58.31 -41.94 85.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 63.32 110.278 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 3' ' ' VAL . 61.2 t -62.69 -47.4 93.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.518 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -60.08 -41.92 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 70.21 110.023 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -62.12 -45.28 94.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.614 -0.721 . . . . 74.14 110.458 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 50' ' ' LEU . 56.1 tp -56.75 -47.74 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 73.32 110.122 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.5 -42.61 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.495 -0.775 . . . . 75.32 110.949 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 43.7 mt-10 -60.08 -49.5 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 75.34 110.963 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 58.9 mm-40 -61.22 -45.65 93.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 73.01 111.115 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.581 HG22 ' HB2' ' A' ' 78' ' ' LEU . 67.0 mt -63.91 -33.87 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 64.31 110.437 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.689 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.2 t-80 -67.32 -42.69 83.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.935 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.442 ' NH2' ' HB3' ' A' ' 12' ' ' GLU . 7.1 ptp85 -86.38 -38.12 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.261 0.467 . . . . 74.42 112.261 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -87.98 -10.79 49.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 71.43 111.21 -175.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.48 -175.29 26.11 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.736 -0.745 . . . . 65.03 112.801 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.4 t -145.47 148.84 33.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.802 -0.814 . . . . 63.02 108.802 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 63.2 mttm -80.84 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.313 0.578 . . . . 71.44 111.283 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -81.42 -170.74 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.962 -1.017 . . . . 71.3 110.951 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.52 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 71.32 111.819 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -84.49 -15.66 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 75.23 110.045 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.69 8.29 58.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.917 -0.659 . . . . 65.03 112.168 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 47.4 mmtm -98.63 147.04 25.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.041 0.448 . . . . 74.1 110.277 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 15' ' ' HIS . 40.7 mt -80.08 144.93 32.71 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.742 -0.663 . . . . 75.02 109.984 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.0 m -143.29 142.25 31.28 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 110.148 -0.315 . . . . 74.25 110.148 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.578 HG11 HG23 ' A' ' 14' ' ' ILE . 8.0 p -146.53 137.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.011 -0.737 . . . . 74.35 109.011 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -77.12 144.14 38.66 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.534 -0.467 . . . . 72.25 110.751 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . 86.6 t80 -51.89 -42.05 62.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.134 -0.939 . . . . 75.2 111.759 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -33.83 87.76 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.237 -0.506 . . . . 55.3 112.869 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.61 -46.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 72.53 110.481 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.59 -43.26 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.629 . . . . 71.15 109.821 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -62.83 -30.41 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 74.21 111.196 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.01 -48.09 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.977 0.418 . . . . 74.24 110.684 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.41 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.51 -38.89 88.99 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.558 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 6.1 tmtt? -55.85 -40.29 72.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 75.34 110.428 -177.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.2 t -71.16 -41.9 69.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.036 -0.529 . . . . 74.01 111.861 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.88 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.028 0.381 . . . . 64.31 112.028 -173.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.2 m120 57.76 63.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.55 0.69 . . . . 74.04 109.88 -171.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.4 -48.56 12.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.088 -0.96 . . . . 72.34 109.24 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' A' ' 46' ' ' LEU . 33.6 m-85 -100.07 102.6 13.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.609 -0.723 . . . . 74.51 109.678 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.12 -40.32 76.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.429 0.633 . . . . 73.02 109.822 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.46 84.62 2.23 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.306 -0.861 . . . . 72.44 109.32 172.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 43' ' ' PHE . 34.7 tp -56.92 -37.81 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.727 -0.669 . . . . 75.24 110.777 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.2 p -63.61 -31.11 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 73.41 110.848 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.61 -45.83 43.08 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.914 -0.66 . . . . 61.43 111.687 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.46 HG23 HD23 ' A' ' 10' ' ' LEU . 5.5 m -58.07 -44.57 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 73.43 110.553 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 10' ' ' LEU . 96.5 mt -60.47 -47.03 87.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.226 -0.443 . . . . 64.53 110.39 176.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 51' ' ' LYS . 9.2 tppt? -53.99 -46.87 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.891 -0.595 . . . . 73.42 110.832 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.92 -53.49 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.114 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . . . -71.07 -32.91 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.913 -0.585 . . . . 74.35 111.61 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 87.0 tttt -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.0 0.428 . . . . 72.34 110.696 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -77.07 -13.66 59.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.131 -0.486 . . . . 64.15 110.935 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -93.07 -0.29 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 74.54 110.83 170.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 62.13 30.12 17.71 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.919 -0.582 . . . . 74.13 111.589 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 53' ' ' ALA . 62.7 mt -85.61 -39.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.08 -0.711 . . . . 74.2 109.08 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 29.6 m -131.69 169.1 22.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.147 -0.933 . . . . 74.15 109.607 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -151.04 147.31 26.96 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.562 -0.533 . . . . 74.11 109.562 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 10.6 p90 -157.29 133.52 6.14 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.012 0.434 . . . . 74.12 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 16.2 Cg_exo . . . . . 0 C--O 1.235 0.356 0 C-N-CA 123.466 2.777 . . . . 62.41 112.587 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 120.81 0.338 . . . . 60.13 111.828 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.449 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 1.1 m-20 -68.01 -14.6 63.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.493 0.663 . . . . 74.02 109.904 175.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.64 4.42 52.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.491 -0.777 . . . . 73.12 110.084 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -78.77 130.9 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.1 110.451 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.51 119.88 21.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.462 -0.79 . . . . 73.52 110.666 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mm -89.48 112.88 25.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.383 -0.969 . . . . 75.52 108.383 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.13 127.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.942 0.401 . . . . 74.32 111.195 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.635 HD23 HD11 ' A' ' 26' ' ' LEU . 44.6 tp -89.84 110.68 21.59 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.313 -0.625 . . . . 74.31 109.313 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.87 -42.24 18.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.006 -0.543 . . . . 71.42 110.541 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.409 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 44.0 mt-30 -104.2 131.1 51.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.827 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 116.157 -0.474 . . . . 74.33 109.795 175.091 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.565 ' O ' HG22 ' A' ' 7' ' ' VAL . 14.7 p . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 113.846 1.054 . . . . 73.44 113.846 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.49 -29.47 64.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.774 0.321 . . . . 74.34 111.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -80.43 -43.95 20.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.297 0.48 . . . . 74.42 112.297 -178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 3' ' ' VAL . 1.3 pm0 -63.07 -28.61 70.2 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 120.239 -0.584 . . . . 60.51 111.041 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 3' ' ' VAL . 97.0 t -62.18 -44.65 99.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 120.73 0.3 . . . . 75.23 110.397 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.38 -36.06 78.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.087 0.47 . . . . 73.13 110.237 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.655 HD22 ' HB3' ' A' ' 42' ' ' LEU . 63.9 tp -63.18 -43.71 97.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 73.43 110.036 176.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 HG21 ' A' ' 49' ' ' THR . 54.2 tp -57.64 -52.28 66.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.475 -0.784 . . . . 73.11 110.869 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.15 -30.02 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 73.45 111.434 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.85 -40.35 75.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.944 -0.391 . . . . 70.53 109.944 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 53.0 mm-40 -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.47 -0.332 . . . . 73.14 111.055 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.6 mt -62.84 -34.35 65.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.004 0.43 . . . . 74.41 110.191 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -70.63 -32.01 69.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.147 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HB3' HD12 ' A' ' 17' ' ' LEU . 25.1 ttm-85 -82.24 -48.57 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 75.55 111.589 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 16' ' ' ARG . 7.6 mp -91.92 -27.33 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 72.43 111.155 -175.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.412 ' CA ' ' HB ' ' A' ' 28' ' ' VAL . . . -82.41 171.76 51.82 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.975 -0.631 . . . . 72.14 112.994 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 t -134.9 157.17 47.55 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.204 -0.665 . . . . 71.31 109.204 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 mttp -77.13 134.27 38.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.307 0.575 . . . . 74.35 110.594 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -87.56 -174.45 4.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.959 -1.019 . . . . 74.32 110.264 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.4 62.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.389 -0.369 . . . . 74.13 111.719 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -89.33 -17.02 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 71.04 110.245 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 5.77 59.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.859 -0.686 . . . . 72.11 112.537 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 48.4 mttm -91.7 151.92 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.743 -0.466 . . . . 72.14 109.743 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.31 135.61 42.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 74.03 110.257 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.1 m -143.21 142.63 31.48 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 73.14 109.85 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' HB ' ' CA ' ' A' ' 18' ' ' GLY . 7.1 p -142.84 137.47 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.246 -0.434 . . . . 75.42 110.221 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.785 ' HD2' ' HA ' ' A' ' 73' ' ' ASP . 14.7 mtmt -62.59 126.07 26.07 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.772 0.32 . . . . 73.15 110.215 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.7 t80 -53.21 -38.9 63.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.569 -0.741 . . . . 73.33 110.895 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.28 66.68 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.991 -0.623 . . . . 71.22 112.901 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.45 -48.2 27.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 72.13 110.293 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -39.16 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 75.15 110.282 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 33.6 t80 -62.57 -38.18 89.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.609 -0.723 . . . . 74.21 110.616 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -71.28 -39.99 71.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 75.03 110.708 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.09 -48.29 79.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 72.21 110.534 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.83 -33.91 73.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 75.5 111.702 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HE3' ' CE2' ' A' ' 34' ' ' PHE . 90.0 mttt -58.14 -25.72 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 72.25 111.645 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 t -87.63 -37.67 16.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.632 0.253 . . . . 73.33 111.097 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -32.93 12.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.422 0.527 . . . . 75.2 112.422 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.44 ' N ' HD21 ' A' ' 41' ' ' ASN . 0.9 OUTLIER 66.06 44.03 2.77 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.319 0.581 . . . . 71.42 110.794 -178.248 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.655 ' HB3' HD22 ' A' ' 9' ' ' LEU . 89.0 mt -80.6 -44.07 19.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.856 . . . . 75.35 110.159 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.18 95.76 8.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 74.33 109.655 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.2 -48.78 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.852 -0.613 . . . . 73.12 110.434 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.37 87.76 2.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.707 -0.679 . . . . 75.11 109.445 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.0 tp -57.93 -40.88 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 72.52 110.998 -175.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.2 p -61.53 -37.91 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.493 -0.321 . . . . 73.41 110.338 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.78 -41.85 87.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.031 -0.604 . . . . 63.11 111.796 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.512 HG21 HD23 ' A' ' 10' ' ' LEU . 17.2 m -62.03 -41.06 97.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.993 0.425 . . . . 75.22 110.419 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 HD13 ' HE1' ' A' ' 30' ' ' PHE . 94.8 mt -62.86 -47.48 83.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 74.12 110.609 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 30.7 mmmt -59.28 -41.07 88.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.408 -0.36 . . . . 75.34 110.703 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.48 88.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.392 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.47 53.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 72.53 111.129 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.5 tttt -68.0 -37.08 81.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.279 0.562 . . . . 74.43 109.691 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.27 -34.68 75.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.5 -0.773 . . . . 73.45 110.789 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.05 9.48 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.14 111.474 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 63.74 23.78 13.6 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.87 -0.605 . . . . 75.14 110.832 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.671 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.8 mt -85.43 -42.55 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.862 -0.608 . . . . 73.44 110.633 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.39 160.85 42.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.342 -0.39 . . . . 75.13 110.294 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.651 ' HB ' HD13 ' A' ' 79' ' ' LEU . 15.2 t -134.31 146.75 50.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.02 0.438 . . . . 74.11 110.317 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 11.8 p90 -164.1 134.78 3.34 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.542 -0.754 . . . . 75.54 109.293 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 5.4 Cg_exo . . . . . 0 N--CA 1.456 -0.69 0 C-N-CA 122.544 2.163 . . . . 75.32 111.705 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.539 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.0 m80 . . . . . 0 CA--C 1.519 -0.243 0 N-CA-C 112.035 0.383 . . . . 73.44 112.035 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.87 -39.18 93.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 73.42 110.897 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.785 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 8.1 t70 -96.0 8.84 42.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.525 . . . . 75.33 110.965 -176.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.5 t -87.57 115.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 73.31 110.308 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.9 125.32 29.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.115 -0.493 . . . . 74.25 110.26 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.44 116.91 29.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.532 -0.914 . . . . 74.32 108.532 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.43 130.18 46.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 70.45 111.407 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.6 tp -80.44 122.32 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.637 -0.71 . . . . 74.03 110.099 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.651 HD13 ' HB ' ' A' ' 60' ' ' THR . 97.7 mt -96.74 -39.13 9.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.058 0.456 . . . . 75.44 110.576 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.671 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -122.3 131.72 54.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.164 -0.68 . . . . 72.3 109.164 -177.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.458 . . . . 65.22 112.02 -174.031 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.551 ' O ' HG21 ' A' ' 7' ' ' VAL . 12.1 p . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 112.004 0.372 . . . . 74.31 112.004 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.91 -28.69 69.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.558 -0.292 . . . . 71.54 111.551 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -80.8 -41.24 23.67 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.321 -0.992 . . . . 71.5 108.321 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -41.3 92.55 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.311 -1.313 . . . . 73.54 110.89 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 3' ' ' VAL . 96.6 t -63.91 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.67 176.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.47 ' HA ' HG21 ' A' ' 11' ' ' VAL . 89.2 m-20 -69.4 -28.25 66.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 74.41 110.562 177.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.0 tp -69.98 -42.28 73.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.289 0.566 . . . . 75.3 109.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 49' ' ' THR . 56.0 tp -57.1 -49.44 75.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.287 -0.87 . . . . 74.41 110.782 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.5 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 30.0 m -65.52 -34.98 74.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.012 -0.275 . . . . 71.0 111.353 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.13 -40.8 98.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.887 -0.412 . . . . 75.1 109.887 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -66.14 -35.46 80.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 74.03 110.64 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' LEU . 76.1 mt -66.89 -34.17 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.018 0.437 . . . . 74.25 110.236 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.5 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 32.7 m-70 -70.45 -31.05 68.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.96 0.41 . . . . 74.0 110.483 173.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -79.87 -48.94 12.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 74.53 111.825 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -105.34 -3.09 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.969 0.414 . . . . 74.22 111.206 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.48 154.37 24.1 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.6 -0.809 . . . . 64.44 112.901 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -120.67 156.21 32.21 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.952 -0.759 . . . . 74.01 108.952 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -84.9 132.32 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.257 0.551 . . . . 63.23 111.539 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -81.04 173.78 12.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 72.21 109.543 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.58 -16.21 64.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.167 0.508 . . . . 73.54 110.52 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -78.57 -14.79 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.583 -0.735 . . . . 72.45 110.656 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.48 12.46 57.1 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.619 -0.801 . . . . 61.44 112.879 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -112.55 152.0 29.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 73.41 110.758 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 15' ' ' HIS . 72.2 mt -80.07 139.7 36.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 73.31 110.593 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.5 m -143.88 143.46 31.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.051 -0.522 . . . . 74.22 111.074 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.23 138.04 37.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.442 -0.799 . . . . 73.12 109.23 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB2' HG22 ' A' ' 32' ' ' VAL . 66.4 mttm -70.97 139.5 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.98 0.419 . . . . 72.12 111.013 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.91 -38.59 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 75.21 110.804 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.7 -26.73 67.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.233 -0.508 . . . . 61.42 112.917 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 29' ' ' LYS . 54.9 t -76.37 -48.5 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.25 -46.0 85.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.586 -0.734 . . . . 72.13 111.085 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 15.0 t80 -61.97 -32.93 73.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 72.42 110.439 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -65.43 -52.98 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.578 -0.737 . . . . 74.44 110.984 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.19 -35.9 74.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.462 -0.335 . . . . 75.23 110.498 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.04 -39.89 93.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.454 -0.339 . . . . 74.13 111.289 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 77.2 mttt -70.4 -18.63 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.045 0.45 . . . . 75.23 110.993 178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 73.01 111.16 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.0 -23.25 15.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.525 0.565 . . . . 75.03 112.525 -173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.45 55.72 2.23 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.311 0.577 . . . . 74.41 110.574 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -81.28 -41.0 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.402 -0.817 . . . . 74.41 110.314 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -113.8 99.36 7.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.789 -0.641 . . . . 75.23 109.484 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.46 -29.27 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 63.04 110.505 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.6 83.45 2.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 74.23 109.611 170.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -39.19 88.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.814 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 48.8 t -58.48 -43.01 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.975 -0.557 . . . . 62.24 110.435 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.16 -44.12 94.48 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.138 -0.553 . . . . 73.0 112.237 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.54 HG23 HD22 ' A' ' 10' ' ' LEU . 8.6 m -59.68 -40.36 87.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 64.21 110.674 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.97 -46.51 81.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.844 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 68.1 mmtt -55.51 -48.87 73.96 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.377 -0.374 . . . . 74.33 110.244 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.32 -53.36 57.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 75.54 111.17 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . . . -68.9 -38.34 79.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.677 -0.692 . . . . 73.01 111.621 -176.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 82.9 tttt -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.908 0.385 . . . . 74.11 110.469 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 23.5 mmt85 -70.49 -25.97 63.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.54 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.659 ' HB3' HG12 ' A' ' 58' ' ' ILE . 27.5 ttt180 -85.15 1.05 49.69 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.984 -0.553 . . . . 73.32 110.276 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 63.12 25.55 14.95 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.642 -0.708 . . . . 74.34 111.491 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.659 HG12 ' HB3' ' A' ' 56' ' ' ARG . 36.2 mm -78.3 -43.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.032 -0.729 . . . . 72.52 109.032 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.67 170.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.2 -0.909 . . . . 73.33 110.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.642 ' HB ' HD13 ' A' ' 79' ' ' LEU . 13.1 t -146.47 150.94 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.563 -0.532 . . . . 74.32 109.563 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.507 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 9.8 p90 -162.03 141.92 7.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.082 -0.508 . . . . 72.1 109.862 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo . . . . . 0 C--O 1.235 0.356 0 C-N-CA 122.497 2.131 . . . . 75.25 111.617 176.219 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 74' ' ' VAL . 1.5 t60 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.986 0.422 . . . . 74.0 110.394 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -67.9 -36.5 80.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.829 0.677 . . . . 73.33 112.829 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.48 -7.13 59.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 44.4 110.033 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 71' ' ' HIS . 73.8 t -76.92 132.88 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.54 -0.755 . . . . 73.14 110.87 -178.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.435 ' CG ' ' HZ2' ' A' ' 29' ' ' LYS . 17.9 m-20 -83.44 129.23 34.98 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.047 -0.979 . . . . 74.41 110.648 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.11 116.34 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.958 -0.756 . . . . 74.03 108.958 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -99.34 130.86 47.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.308 -0.405 . . . . 75.25 111.461 -171.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.3 tp -84.16 121.1 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 73.44 110.284 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.642 HD13 ' HB ' ' A' ' 60' ' ' THR . 93.3 mt -94.97 -43.91 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 75.11 111.106 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 41.5 mt-30 -107.97 132.01 53.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.264 -0.426 . . . . 73.41 110.196 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 . . . . . 0 C--N 1.32 -0.717 0 CA-C-O 121.444 0.64 . . . . 64.43 110.056 177.855 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.531 ' O ' HG22 ' A' ' 7' ' ' VAL . 11.8 p . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.764 0.316 . . . . 72.33 111.057 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -41.87 92.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 70.22 110.681 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.439 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -76.46 -28.29 56.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.849 -0.614 . . . . 73.11 110.905 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.19 -31.64 64.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.306 . . . . 65.44 111.152 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 3' ' ' VAL . 73.7 t -63.15 -49.16 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.788 -0.187 . . . . 70.14 111.124 178.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.517 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.9 p-10 -72.21 -30.92 65.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.578 -0.449 . . . . 62.11 110.116 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 42' ' ' LEU . 56.6 tp -60.98 -43.63 98.55 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.572 -0.529 . . . . 75.51 109.572 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.54 HD21 HG22 ' A' ' 49' ' ' THR . 57.8 tp -56.54 -51.1 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.372 -0.831 . . . . 74.24 110.91 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' ASN . 3.5 m -66.57 -30.95 51.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 75.34 110.757 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mt-10 -72.36 -37.1 68.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.952 -0.299 . . . . 71.42 110.884 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -63.98 -36.88 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.703 -0.48 . . . . 72.21 109.703 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 10' ' ' LEU . 71.0 mt -66.33 -32.84 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 74.11 110.18 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 24.7 m170 -59.06 -35.38 73.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.901 0.382 . . . . 75.44 110.681 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -86.63 -48.59 8.18 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.078 0.399 . . . . 74.44 112.078 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -94.59 -3.11 50.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.192 0.442 . . . . 64.33 112.192 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.62 133.6 11.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.647 -0.787 . . . . 74.35 113.389 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -96.49 145.78 25.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.008 -0.738 . . . . 73.44 109.008 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -78.24 129.96 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.423 0.63 . . . . 74.35 112.37 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.481 HD22 ' HB2' ' A' ' 27' ' ' SER . 95.4 m-20 -87.66 177.9 6.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.173 -0.921 . . . . 75.14 109.258 171.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.56 -17.1 62.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 73.25 111.245 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' HB3' ' HG3' ' A' ' 25' ' ' LYS . 1.2 m-20 -78.87 -16.89 56.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.72 -0.673 . . . . 73.4 111.612 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.07 2.88 88.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.454 -1.059 . . . . 71.12 110.454 -167.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 65.0 mttp -83.71 152.8 24.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.461 -0.57 . . . . 75.41 109.461 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -97.09 125.29 41.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.969 0.414 . . . . 75.45 110.772 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.481 ' HB2' HD22 ' A' ' 21' ' ' ASN . 12.2 t -115.38 142.99 45.95 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.262 -0.644 . . . . 72.12 109.262 175.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.96 138.02 44.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 C-N-CA 120.153 -0.619 . . . . 72.11 110.332 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.612 ' HB2' HG23 ' A' ' 32' ' ' VAL . 73.5 mmtt -64.38 135.56 56.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.948 0.404 . . . . 74.42 110.352 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -56.7 -38.82 72.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 73.15 109.962 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.52 90.5 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.848 -0.691 . . . . 62.33 111.947 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 29' ' ' LYS . 50.6 t -62.35 -46.37 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.122 0.487 . . . . 74.45 110.296 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -46.42 79.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.382 -0.827 . . . . 64.34 110.407 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -68.29 -38.88 82.11 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.318 -0.401 . . . . 74.23 111.24 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -71.48 -29.41 64.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.674 0.273 . . . . 71.42 111.028 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.79 -47.26 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.274 -0.639 . . . . 75.21 109.274 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.49 -31.16 71.72 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.185 0.517 . . . . 73.43 110.652 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -56.64 -34.0 66.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.135 0.493 . . . . 71.32 110.445 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.0 m -88.99 -34.5 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.912 -0.586 . . . . 70.02 112.277 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.46 -34.72 9.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.87 0.693 . . . . 74.14 112.87 -172.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.445 HD21 ' HA ' ' A' ' 41' ' ' ASN . 4.3 m120 53.89 65.45 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.419 0.628 . . . . 74.15 111.123 -172.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HB3' HD23 ' A' ' 9' ' ' LEU . 88.3 mt -81.91 -31.54 31.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.266 -0.879 . . . . 74.53 109.427 177.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -113.76 121.03 42.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.416 -0.811 . . . . 72.44 109.926 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.58 -41.51 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.258 0.551 . . . . 75.22 110.025 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.9 86.85 2.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.427 -0.806 . . . . 75.52 109.622 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.85 -38.39 82.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.905 -0.589 . . . . 62.44 110.328 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 47.8 t -62.31 -32.74 55.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 75.11 110.487 177.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 -46.64 23.4 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 73.33 112.173 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.54 HG22 HD21 ' A' ' 10' ' ' LEU . 6.9 m -59.43 -44.8 92.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 75.14 110.761 176.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 HD22 ' A' ' 10' ' ' LEU . 95.2 mt -61.39 -35.29 77.09 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.395 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 6.8 tppt? -67.83 -44.38 77.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.867 -0.606 . . . . 72.31 110.689 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.18 86.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 71.34 111.073 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.72 -28.7 60.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.728 -0.669 . . . . 64.41 111.582 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 89.0 tttt -69.95 -35.85 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.113 0.482 . . . . 75.44 109.805 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -64.46 -35.92 82.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.939 -0.573 . . . . 74.35 110.771 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -89.04 7.54 34.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.591 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mptt 58.63 23.78 11.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.203 0.601 . . . . 74.42 111.069 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.709 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 90.3 mt -73.8 -42.25 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.148 -0.933 . . . . 74.12 108.852 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.7 m -135.31 159.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.291 -0.868 . . . . 70.44 109.559 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.0 t -138.06 147.54 44.17 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.468 -0.567 . . . . 72.23 109.468 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.504 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 28.2 p90 -159.89 135.61 6.03 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 115.764 -0.653 . . . . 74.03 109.701 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 4.2 Cg_exo . . . . . 0 N--CA 1.457 -0.639 0 C-N-CA 122.847 2.364 . . . . 75.24 111.357 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 120.25 0.072 . . . . 74.24 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.39 -40.36 59.1 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.229 0.826 . . . . 73.42 113.229 -170.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -95.49 9.01 41.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.989 0.423 . . . . 61.24 111.86 -170.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.6 121.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.091 -0.381 . . . . 75.31 110.133 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.43 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 2.5 m-20 -78.96 122.52 26.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 74.22 110.643 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.99 108.84 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.192 -1.04 . . . . 72.12 108.192 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.1 mt -96.58 121.79 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 71.24 111.426 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.7 tt -82.61 113.49 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 72.42 109.632 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.8 mt -89.6 -42.18 11.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.75 -0.659 . . . . 74.41 110.724 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.709 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 28.6 tt0 -121.05 131.22 54.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 74.2 109.587 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.404 ' CG ' ' HE2' ' A' ' 15' ' ' HIS . 4.4 t0 . . . . . 0 C--N 1.319 -0.755 0 N-CA-C 109.472 -0.566 . . . . 72.4 109.472 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 7' ' ' VAL . 7.4 p . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 111.73 0.27 . . . . 71.34 111.73 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -62.9 -46.21 88.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.112 0.482 . . . . 70.13 110.386 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -69.52 -32.75 71.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.99 -0.55 . . . . 74.35 110.437 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.38 -29.52 69.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 73.11 110.973 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 3' ' ' VAL . 86.4 t -61.96 -45.24 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.988 0.423 . . . . 73.31 110.535 174.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -66.48 -31.03 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.486 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 42' ' ' LEU . 58.2 tp -68.2 -41.55 81.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.511 -0.552 . . . . 74.3 109.511 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.625 HD21 HG22 ' A' ' 49' ' ' THR . 43.0 tp -58.61 -52.03 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 73.21 110.825 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.1 -31.03 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.039 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.71 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 4.8 mm-40 -69.75 -49.78 49.8 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.358 -0.383 . . . . 62.32 111.079 176.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.02 -40.87 95.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 74.22 110.906 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.605 HG22 HG12 ' A' ' 28' ' ' VAL . 93.5 mt -59.55 -51.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 74.5 111.126 178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 1.007 ' HB2' HD11 ' A' ' 26' ' ' LEU . 4.7 p80 -71.54 -30.94 66.48 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.586 -0.445 . . . . 75.35 111.157 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -78.32 -41.45 33.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 75.52 111.735 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.86 -21.03 26.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 74.52 111.06 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.13 -165.83 40.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.687 -0.768 . . . . 73.01 113.932 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p -142.98 158.1 43.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.13 -0.535 . . . . 60.12 109.843 -176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 45.1 mtmt -77.88 136.01 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 74.35 111.655 -178.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -86.12 171.19 11.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.123 -0.944 . . . . 74.23 108.818 170.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.6 -21.05 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.36 0.6 . . . . 72.43 110.996 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.414 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 16.4 t70 -77.97 -15.15 59.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 72.5 110.413 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.27 -1.46 67.16 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.858 -0.687 . . . . 60.22 112.232 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 53.2 mttp -85.23 151.04 24.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.351 . . . . 75.14 110.491 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 15' ' ' HIS . 14.2 mt -95.58 118.69 32.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.889 -0.596 . . . . 74.24 110.312 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -122.29 144.78 48.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.415 -0.357 . . . . 73.34 110.843 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.605 HG12 HG22 ' A' ' 14' ' ' ILE . 14.4 p -139.74 145.93 25.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.232 -0.44 . . . . 72.15 110.292 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 12.3 mttt -65.37 135.57 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.542 -0.299 . . . . 73.22 110.87 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HE1' HD12 ' A' ' 50' ' ' LEU . 88.3 t80 -56.61 -41.75 77.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.019 -0.537 . . . . 71.23 110.777 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.524 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -61.1 -32.61 81.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.127 -0.558 . . . . 74.33 112.453 -178.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.7 t -68.2 -51.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 74.1 110.338 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -64.56 -42.33 95.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.64 . . . . 74.1 110.127 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -60.33 -41.12 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 74.42 110.583 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' ' 36' ' ' ASP . 9.9 ttp180 -64.76 -51.83 60.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.314 0.578 . . . . 74.2 110.984 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 35' ' ' ARG . 1.4 m-20 -69.93 -36.78 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.522 -0.763 . . . . 74.54 112.137 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.19 -36.99 84.53 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.552 -0.459 . . . . 75.4 110.689 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -59.49 -25.08 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.97 0.414 . . . . 74.3 111.158 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -83.24 -29.84 28.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.003 -0.544 . . . . 74.31 111.735 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.54 -25.92 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.283 0.475 . . . . 73.52 112.283 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.3 m120 59.29 60.59 2.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.589 0.709 . . . . 71.52 110.167 -174.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.7 mt -80.63 -35.87 33.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.083 -0.962 . . . . 72.44 109.635 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' HE2' HD23 ' A' ' 33' ' ' LEU . 54.2 m-85 -101.14 129.29 47.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.166 -0.925 . . . . 74.25 109.437 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.34 -53.44 16.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.536 -0.913 . . . . 74.41 108.536 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.98 85.12 2.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.404 -0.816 . . . . 63.34 109.863 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 65.9 tp -54.32 -44.36 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 74.21 111.245 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.66 -35.2 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.339 . . . . 51.22 110.758 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.49 62.91 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.903 -0.665 . . . . 65.14 111.973 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.625 HG22 HD21 ' A' ' 10' ' ' LEU . 13.7 m -60.79 -40.5 92.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.848 0.356 . . . . 72.35 110.278 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.0 mt -62.2 -49.37 76.05 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.906 -0.588 . . . . 75.15 110.536 176.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -55.48 -48.99 73.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.78 -0.645 . . . . 75.53 111.147 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 73.44 111.7 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 7' ' ' VAL . . . -70.71 -30.44 67.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 74.24 111.365 -177.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.0 tttt -67.99 -41.3 82.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.934 -0.395 . . . . 73.55 109.934 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mmt180 -73.2 -23.67 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 74.43 111.048 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -85.13 3.47 38.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 70.33 110.605 175.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 63.55 25.03 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.908 -0.587 . . . . 72.42 110.71 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.6 HG12 HE21 ' A' ' 80' ' ' GLN . 56.7 mt -87.49 -36.21 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 73.4 110.285 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -135.84 161.88 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.475 -0.33 . . . . 73.12 110.198 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.778 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.8 t -139.58 147.04 40.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.99 0.424 . . . . 65.3 110.279 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.5 p90 -164.86 134.38 2.87 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 62.54 109.503 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 74' ' ' VAL . 24.5 Cg_exo . . . . . 0 C--O 1.236 0.381 0 C-N-CA 122.817 2.345 . . . . 74.03 112.306 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 . . . . . 0 C--O 1.227 -0.119 0 CA-C-O 120.491 0.186 . . . . 73.12 111.389 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.524 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 16.7 t70 -55.02 -32.45 61.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.481 -0.327 . . . . 74.54 111.465 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.617 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 26.9 t70 -84.21 -3.16 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.4 0.619 . . . . 71.32 110.496 -175.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 62' ' ' PRO . 94.4 t -83.52 121.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 74.12 109.883 176.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.75 127.78 39.64 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.103 -0.499 . . . . 72.5 109.972 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -86.43 109.26 18.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.716 -0.846 . . . . 75.53 108.716 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.0 mt -95.5 126.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.222 -0.444 . . . . 72.53 111.0 -173.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 tp -79.7 110.76 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 75.32 109.66 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.778 HD11 ' HB ' ' A' ' 60' ' ' THR . 90.9 mt -84.62 -36.44 22.0 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.922 -0.581 . . . . 73.25 110.741 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.6 HE21 HG12 ' A' ' 58' ' ' ILE . 9.1 tt0 -121.06 131.17 54.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 73.25 110.062 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.786 -0.45 . . . . 74.51 109.786 179.576 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 7' ' ' VAL . 11.3 p . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.734 0.302 . . . . 75.25 111.646 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.07 -40.93 77.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 73.53 111.195 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.22 -39.3 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.691 -0.231 . . . . 61.32 110.694 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.87 -40.93 94.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 71.33 110.227 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 3' ' ' VAL . 55.5 t -62.59 -48.16 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.071 -0.513 . . . . 73.41 111.177 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 11' ' ' VAL . 84.4 m-20 -69.86 -27.82 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 64.33 110.473 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -67.04 -40.7 87.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.461 -0.57 . . . . 74.11 109.461 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.719 HD21 HG21 ' A' ' 49' ' ' THR . 50.7 tp -57.9 -49.16 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 74.32 110.999 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 8' ' ' ASN . 4.4 m -63.5 -33.39 61.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.889 -0.324 . . . . 75.42 110.458 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -65.13 -48.87 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.197 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 44.3 mm-40 -61.57 -40.01 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.909 -0.587 . . . . 64.34 110.982 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 10' ' ' LEU . 59.1 mt -68.18 -33.28 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 74.31 110.844 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.47 -41.64 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.837 0.351 . . . . 73.25 111.306 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HD3' ' OE1' ' A' ' 12' ' ' GLU . 8.4 mtp-105 -86.9 -49.03 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.621 0.6 . . . . 74.44 112.621 -176.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -82.68 -18.01 42.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.58 0.228 . . . . 73.23 111.507 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.469 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -81.22 162.37 44.08 Favored Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.88 -0.676 . . . . 70.25 112.866 -175.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.2 t -122.22 154.07 37.99 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.87 -0.789 . . . . 62.13 108.87 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -81.71 130.43 35.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.375 0.607 . . . . 75.11 111.125 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 p30 -87.89 -174.54 4.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.031 -0.986 . . . . 73.35 110.205 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.99 63.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 74.22 111.043 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.32 -14.95 59.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.749 -0.659 . . . . 75.32 110.692 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.58 18.06 34.09 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.884 -0.598 . . . . 71.01 112.907 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.25 166.18 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.876 0.37 . . . . 73.45 111.166 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.57 138.23 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 74.2 111.02 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 m -143.36 143.16 31.55 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.843 -0.617 . . . . 74.23 109.519 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 8.4 p -145.35 137.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.541 0.21 . . . . 73.22 110.556 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HZ3' ' CG ' ' A' ' 73' ' ' ASP . 5.7 mptp? -63.05 128.87 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.628 -0.508 . . . . 71.23 109.628 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.571 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 66.2 t80 -54.94 -38.2 67.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.781 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.87 75.64 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.073 -0.584 . . . . 52.23 112.536 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.42 -47.61 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.051 0.453 . . . . 73.31 110.288 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HE2' ' A' ' 43' ' ' PHE . 5.7 tt -65.74 -46.35 79.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.667 -0.697 . . . . 75.23 110.152 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.439 ' HD1' HD11 ' A' ' 46' ' ' LEU . 81.3 t80 -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.52 . . . . 74.2 110.929 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.14 -44.29 96.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.567 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.17 -40.45 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 74.2 109.992 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.57 -49.45 77.74 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 116.135 -0.484 . . . . 70.03 111.049 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 26.9 mmtm -64.36 -13.66 51.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 70.32 111.773 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -87.02 -16.34 35.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.466 -0.334 . . . . 74.22 111.069 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 41' ' ' ASN . . . -120.45 -32.7 4.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.816 0.341 . . . . 71.21 111.804 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.454 ' N ' HD21 ' A' ' 41' ' ' ASN . 0.9 OUTLIER 72.83 56.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.804 0.842 . . . . 71.2 110.094 -176.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -49.49 10.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.06 -0.973 . . . . 73.23 110.602 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.449 ' HE2' HD23 ' A' ' 33' ' ' LEU . 71.7 m-85 -92.41 125.16 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.886 -0.597 . . . . 72.43 110.948 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -53.48 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.376 -0.972 . . . . 75.3 108.376 174.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.64 84.75 2.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.584 -0.735 . . . . 74.44 110.269 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.439 HD11 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tt -62.42 -45.65 92.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.181 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.92 -42.14 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 55.42 110.824 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.82 -35.71 91.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.833 -0.699 . . . . 75.43 111.674 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.719 HG21 HD21 ' A' ' 10' ' ' LEU . 91.7 m -66.44 -39.03 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 73.33 110.748 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 30' ' ' PHE . 92.5 mt -57.62 -48.64 78.86 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.084 -0.507 . . . . 72.31 110.592 176.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 2.3 mptm? -62.31 -43.96 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.907 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.99 79.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 72.31 111.641 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -74.44 -26.15 59.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.22 -0.445 . . . . 72.15 111.388 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -75.85 -33.06 60.0 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.878 -0.416 . . . . 72.44 109.878 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 92.8 mtt-85 -69.93 -29.91 67.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.343 -0.389 . . . . 74.54 110.543 175.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.599 ' HB2' HG12 ' A' ' 58' ' ' ILE . 94.7 mtt180 -84.56 -5.07 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 74.55 110.695 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.1 mttt 60.12 33.26 21.17 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.451 0.643 . . . . 73.23 110.466 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.599 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.4 mm -78.37 -45.52 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-N 115.182 -0.917 . . . . 74.1 108.914 175.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.76 163.19 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.264 -0.88 . . . . 72.55 110.405 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.628 ' HB ' HD12 ' A' ' 79' ' ' LEU . 15.4 t -139.27 147.64 41.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.121 0.486 . . . . 74.22 110.425 176.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.457 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 7.0 p90 -160.48 136.36 6.08 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.366 -0.834 . . . . 74.52 109.238 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 14.5 Cg_exo . . . . . 0 N--CA 1.464 -0.25 0 C-N-CA 122.991 2.461 . . . . 64.45 112.203 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.686 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.3 p-80 . . . . . 0 C--O 1.224 -0.255 0 N-CA-C 111.753 0.279 . . . . 74.33 111.753 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -68.34 -38.88 81.92 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.962 -0.461 . . . . 70.44 111.615 -171.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' A' ' 29' ' ' LYS . 15.4 t70 -103.66 9.36 37.3 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.839 -0.344 . . . . 75.5 110.941 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 71' ' ' HIS . 8.3 p -74.04 119.44 21.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 119.578 -0.849 . . . . 74.43 109.444 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.55 118.34 21.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.578 -0.737 . . . . 72.24 111.014 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.5 mm -85.74 108.07 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.031 -1.1 . . . . 75.13 108.031 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.79 128.91 45.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.951 -174.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.5 tp -81.83 110.43 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.622 -0.51 . . . . 72.33 109.622 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.628 HD12 ' HB ' ' A' ' 60' ' ' THR . 87.6 mt -87.56 -32.24 19.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 64.33 110.59 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -128.71 132.85 48.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.819 -0.628 . . . . 73.14 110.064 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 108.661 -0.866 . . . . 74.42 108.661 171.116 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 7' ' ' VAL . 14.9 p . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 112.302 0.482 . . . . 72.42 112.302 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -39.69 91.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.874 0.369 . . . . 74.23 111.921 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -79.77 -29.34 40.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.845 0.355 . . . . 71.43 110.907 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -67.51 -28.95 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 73.11 110.108 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 3' ' ' VAL . 57.6 t -57.41 -42.47 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.311 -0.404 . . . . 62.13 110.297 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.465 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 4.9 t30 -61.58 -41.53 97.54 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.663 -0.495 . . . . 71.5 109.663 176.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.17 -42.62 98.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.644 -0.707 . . . . 70.53 110.234 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.512 HD22 HG23 ' A' ' 49' ' ' THR . 57.0 tp -56.52 -47.02 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 72.4 110.032 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 7' ' ' VAL . 78.9 t -57.74 -42.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 73.42 111.223 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 41.1 mt-10 -61.5 -46.5 89.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.327 -0.397 . . . . 74.33 110.718 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.81 -36.9 85.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 71.33 111.068 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.1 mt -62.88 -33.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.983 0.42 . . . . 75.32 110.641 176.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-70 -64.03 -42.78 96.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.422 -0.354 . . . . 75.54 111.574 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HE ' ' HB3' ' A' ' 16' ' ' ARG . 2.1 ptp180 -86.12 -37.24 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.352 0.501 . . . . 70.04 112.352 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.9 mt -94.22 -3.56 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 73.35 111.259 -175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.69 174.68 15.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.505 -0.855 . . . . 64.45 113.188 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -137.61 157.68 45.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.772 0.429 . . . . 72.11 110.062 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -76.38 135.08 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 65.4 111.211 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -88.82 -171.27 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 74.13 110.541 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.17 -16.96 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.4 0.518 . . . . 71.11 112.4 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -90.58 -14.3 32.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.559 0.695 . . . . 73.1 110.314 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.2 63.46 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.584 -0.734 . . . . 74.41 112.083 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 54.6 mttp -84.8 158.38 20.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.36 -0.607 . . . . 73.51 109.36 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 15' ' ' HIS . 98.9 mt -84.75 144.53 28.44 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.853 0.359 . . . . 73.22 110.362 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 18.0 m -139.39 141.86 37.54 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.226 -0.657 . . . . 72.21 109.226 173.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.3 138.78 49.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.288 -0.415 . . . . 62.41 110.241 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.634 ' HB2' HG22 ' A' ' 32' ' ' VAL . 47.1 mmtm -65.82 136.79 56.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.754 -0.462 . . . . 74.34 109.754 176.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -61.6 -39.13 90.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.649 -0.705 . . . . 72.54 109.718 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -48.54 85.58 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.307 -0.861 . . . . 72.2 113.93 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 29' ' ' LYS . 33.7 m -68.8 -32.22 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 117.391 0.595 . . . . 75.43 111.311 -176.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 tt -73.61 -46.42 47.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.738 -0.468 . . . . 72.22 109.738 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.31 -36.33 83.33 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.151 0.5 . . . . 73.02 110.057 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -53.16 -51.24 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.739 . . . . 74.24 111.16 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.87 -38.58 76.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 74.41 110.288 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.44 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.533 . . . . 71.4 111.284 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -63.58 -31.99 73.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.954 0.406 . . . . 64.25 110.648 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.4 t -87.51 -45.5 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.123 -0.489 . . . . 73.44 111.352 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -27.95 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.329 0.492 . . . . 74.2 112.329 -174.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 m120 56.59 66.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.205 0.526 . . . . 73.2 109.87 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.8 mt -80.43 -37.0 32.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.544 -0.753 . . . . 71.44 109.579 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -115.36 107.6 15.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.11 -0.95 . . . . 72.33 109.375 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.85 -29.91 65.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.205 0.526 . . . . 71.42 109.906 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.96 83.99 2.13 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.641 -0.709 . . . . 74.43 109.366 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.62 -46.79 83.67 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.412 -0.588 . . . . 75.33 109.412 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 46.5 t -56.22 -50.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.5 -0.773 . . . . 75.32 110.383 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.78 -38.07 93.39 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.054 -0.593 . . . . 71.11 112.511 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.512 HG23 HD22 ' A' ' 10' ' ' LEU . 18.9 m -65.16 -38.7 91.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.09 0.472 . . . . 65.44 110.461 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.96 -46.31 85.22 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 72.53 110.544 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 26.4 mmmt -59.78 -43.47 94.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 64.34 110.054 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.94 -53.46 57.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.855 -0.611 . . . . 72.42 111.477 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.761 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -68.75 -35.48 77.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 72.12 111.173 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.426 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.4 tttt -62.56 -43.25 99.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 74.4 110.385 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 49.5 mtp180 -73.6 -27.28 61.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 75.42 111.078 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.634 ' HB3' HG12 ' A' ' 58' ' ' ILE . 35.8 ttt180 -90.6 14.84 12.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.715 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER 51.89 25.56 3.12 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.983 0.913 . . . . 74.23 111.966 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.761 ' HB ' ' HB2' ' A' ' 53' ' ' ALA . 42.3 mm -76.67 -42.91 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.221 -0.659 . . . . 74.43 109.221 176.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 78' ' ' LEU . 28.2 m -137.63 170.25 17.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.028 -0.987 . . . . 71.15 109.745 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.473 ' HB ' HD12 ' A' ' 79' ' ' LEU . 7.3 t -148.89 152.45 36.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 74.03 109.939 174.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.426 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.3 p90 -161.77 135.85 5.02 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.207 -0.664 . . . . 75.13 109.207 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 34.8 Cg_exo . . . . . 0 C--O 1.236 0.4 0 C-N-CA 122.751 2.3 . . . . 72.12 111.799 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 m170 . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 121.16 0.505 . . . . 74.14 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.88 -38.48 56.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.092 -0.958 . . . . 72.01 112.1 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -87.1 5.66 36.57 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.931 0.345 . . . . 72.44 111.931 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.7 t -84.7 133.05 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 73.14 110.631 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.6 m-20 -83.9 119.42 24.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.534 -0.757 . . . . 73.24 109.935 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.2 mm -85.58 113.89 24.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.498 -0.927 . . . . 74.11 108.498 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -92.55 124.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.139 -0.482 . . . . 73.43 111.407 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.442 ' HA ' HG11 ' A' ' 59' ' ' VAL . 40.4 tp -80.2 111.11 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.416 -0.811 . . . . 75.04 109.423 176.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.56 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 96.7 mt -82.73 -42.34 18.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 74.31 110.464 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 45.3 mt-30 -112.86 130.79 55.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 64.43 110.294 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t0 . . . . . 0 C--N 1.319 -0.723 0 CA-C-N 115.978 -0.555 . . . . 72.33 109.962 177.813 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.7 p . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 111.855 0.317 . . . . 74.44 111.855 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.38 -35.11 78.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.285 0.564 . . . . 75.23 109.946 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.1 -35.47 56.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.676 -0.693 . . . . 74.24 110.405 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.33 -30.02 70.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.782 -0.19 . . . . 73.21 111.041 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 3' ' ' VAL . 92.3 t -61.83 -40.33 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 52.32 110.32 174.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.438 ' HA ' HG21 ' A' ' 11' ' ' VAL . 65.6 m-20 -70.78 -29.37 65.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.107 0.48 . . . . 75.5 110.076 178.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 67.7 tp -71.33 -40.93 70.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.604 -0.517 . . . . 74.31 109.604 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 14' ' ' ILE . 53.4 tp -57.53 -52.26 66.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.76 -0.655 . . . . 74.42 110.637 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' A' ' 8' ' ' ASN . 29.3 m -63.56 -30.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 74.53 111.219 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -48.03 74.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 74.24 109.85 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 4.6 mm-40 -65.85 -36.94 84.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.766 -0.652 . . . . 75.31 110.824 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 10' ' ' LEU . 70.5 mt -66.14 -32.2 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 73.43 110.422 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.72 -42.49 86.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.125 -0.23 . . . . 74.24 111.536 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.66 ' HG3' HD11 ' A' ' 17' ' ' LEU . 27.5 ptt85 -86.72 -39.43 16.01 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.442 0.534 . . . . 74.04 112.442 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.66 HD11 ' HG3' ' A' ' 16' ' ' ARG . 10.0 mp -86.1 -18.61 31.9 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.859 0.361 . . . . 61.43 111.269 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.03 137.39 31.69 Favored Glycine 0 N--CA 1.44 -1.083 0 CA-C-N 115.838 -0.619 . . . . 71.12 113.075 -174.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -99.26 155.61 17.41 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.806 -0.813 . . . . 60.23 108.806 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -76.7 123.39 26.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.477 0.656 . . . . 75.44 110.827 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -73.67 178.11 4.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.717 -1.129 . . . . 75.22 109.449 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.25 61.37 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.375 0.607 . . . . 75.23 110.229 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.442 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 21.9 t70 -93.47 -14.9 26.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.397 -0.819 . . . . 70.0 111.199 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 4.06 60.72 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.195 -1.002 . . . . 72.22 111.689 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 58.5 mttp -83.64 150.36 25.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.978 -0.379 . . . . 74.42 109.978 175.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.68 131.36 34.59 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.474 -0.565 . . . . 74.11 109.474 175.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -142.1 142.34 32.78 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.149 -0.478 . . . . 74.54 109.933 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.98 136.29 53.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.492 -0.322 . . . . 72.31 110.362 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 2.0 ttmm -73.24 139.78 46.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.505 -0.316 . . . . 72.44 110.629 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -56.92 -39.83 75.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 75.41 111.279 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.43 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -63.64 -41.27 99.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.805 -0.712 . . . . 71.04 112.431 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.87 -43.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.103 0.478 . . . . 64.42 110.246 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.86 -45.95 73.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 75.33 109.93 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.83 -42.16 97.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 64.21 111.433 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -66.45 -39.87 89.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.865 0.364 . . . . 63.23 110.786 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.95 -43.61 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.542 -0.54 . . . . 72.22 109.542 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.45 -53.46 47.96 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.894 -0.593 . . . . 61.11 111.24 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -56.87 -25.96 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.026 0.38 . . . . 75.12 112.026 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -66.76 -27.77 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 72.02 111.297 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.91 -22.21 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.106 0.479 . . . . 72.35 111.53 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.9 75.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.621 -1.172 . . . . 73.11 109.92 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -81.26 -42.41 20.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.441 -1.254 . . . . 74.4 109.435 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -90.12 115.34 27.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.189 -0.914 . . . . 73.45 109.662 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.4 -31.02 69.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.365 0.602 . . . . 63.42 109.798 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.93 83.82 2.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.656 -0.702 . . . . 74.3 109.606 172.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 58.9 tp -53.94 -48.46 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 73.4 111.678 -174.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.81 -39.48 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 74.24 110.568 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.45 -42.81 95.64 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.008 -0.542 . . . . 50.03 112.222 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.477 HG22 HD21 ' A' ' 10' ' ' LEU . 7.1 m -61.42 -41.09 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.428 . . . . 72.32 110.602 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 95.7 mt -61.97 -45.77 92.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.879 -0.6 . . . . 74.13 110.636 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -58.19 -46.23 86.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.962 -0.563 . . . . 75.13 110.893 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.65 88.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.12 111.667 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.51 -27.12 60.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.557 -0.292 . . . . 71.21 111.423 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -73.53 -34.29 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.591 -0.522 . . . . 75.14 109.591 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -68.43 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 73.13 110.91 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.18 6.77 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.374 -0.375 . . . . 75.01 111.325 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 9.8 mptt 59.59 26.29 15.3 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.099 0.56 . . . . 74.24 111.215 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.812 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.5 mt -80.75 -47.43 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 70.1 109.888 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.426 HG12 HG22 ' A' ' 58' ' ' ILE . 33.3 m -135.59 157.33 39.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.899 -0.591 . . . . 73.24 110.275 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -138.09 147.93 44.51 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.074 0.464 . . . . 70.13 109.788 172.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.673 ' HB3' HG13 ' A' ' 76' ' ' ILE . 20.8 p90 -142.6 136.17 14.33 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.643 -0.708 . . . . 75.31 109.656 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 36.2 Cg_exo . . . . . 0 N--CA 1.461 -0.383 0 C-N-CA 122.63 2.22 . . . . 65.04 111.502 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.852 0.358 . . . . 72.1 110.409 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.43 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 4.2 t70 -63.83 -39.3 93.91 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.876 0.695 . . . . 64.54 112.876 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.546 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 p-10 -93.29 9.24 37.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.726 0.298 . . . . 74.0 111.759 -174.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.64 124.57 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.824 0.345 . . . . 75.41 110.375 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -90.83 136.05 33.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 74.22 111.308 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.673 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mp -96.45 120.37 45.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.691 -0.855 . . . . 71.34 108.691 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.09 132.34 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 74.44 111.325 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.43 115.89 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.852 -0.613 . . . . 74.2 110.159 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.5 -42.53 8.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.495 . . . . 74.35 110.086 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.812 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 8.4 tt0 -122.07 131.67 54.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.422 -0.808 . . . . 75.04 109.223 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.129 0.49 . . . . 71.05 110.307 -178.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 7' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.885 0.374 . . . . 75.11 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.7 -41.07 94.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.16 0.505 . . . . 74.42 110.804 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.2 -32.97 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.187 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.36 -35.69 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.168 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 3' ' ' VAL . 61.2 t -62.3 -48.71 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.439 177.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 11' ' ' VAL . 75.3 m-20 -67.66 -35.68 79.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.039 -0.528 . . . . 53.31 110.277 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.544 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.4 tp -61.47 -40.78 95.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.871 -0.418 . . . . 75.51 109.871 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.585 HD23 HG23 ' A' ' 49' ' ' THR . 57.2 tp -56.72 -41.34 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.646 -0.706 . . . . 75.25 110.8 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.56 -33.16 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.98 0.419 . . . . 75.32 110.25 -179.575 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.45 -38.81 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 72.34 110.131 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.8 mm-40 -61.86 -47.51 84.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 74.11 110.898 178.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 ' HB3' ' A' ' 26' ' ' LEU . 72.0 mt -62.27 -33.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.037 0.446 . . . . 61.41 110.6 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.404 -0.362 . . . . 70.52 111.939 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 31.5 ptt85 -87.31 -41.23 13.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.977 -0.289 . . . . 71.51 111.753 -176.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 4.3 tp -90.88 -25.05 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 74.42 111.358 -173.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.04 -175.7 43.85 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.765 -0.731 . . . . 74.35 111.997 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 t -128.92 155.82 44.7 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.019 -0.363 . . . . 72.45 110.019 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -77.28 137.53 38.85 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.48 0.657 . . . . 74.41 109.871 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -88.77 165.45 14.69 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.372 -1.285 . . . . 74.03 109.965 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.42 -14.19 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.849 0.833 . . . . 75.42 108.936 167.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -17.92 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.117 -1.402 . . . . 65.32 110.86 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.14 -1.81 65.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.636 -0.792 . . . . 73.54 113.518 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -112.11 168.02 9.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.459 0.63 . . . . 75.43 110.555 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HB3' HG22 ' A' ' 14' ' ' ILE . 3.6 mm? -85.27 140.99 30.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.44 111.029 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -144.54 147.08 32.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.96 -0.564 . . . . 41.02 110.474 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -145.72 145.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.972 -0.558 . . . . 71.14 109.844 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.64 ' HB2' HG21 ' A' ' 32' ' ' VAL . 72.5 mmtt -71.67 144.29 49.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.482 . . . . 75.24 110.758 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -41.06 98.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.188 -0.914 . . . . 73.41 109.964 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -34.16 87.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 54.05 112.493 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 29' ' ' LYS . 99.6 t -72.37 -49.82 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.313 . . . . 75.24 110.77 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.75 -45.67 92.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.979 -0.555 . . . . 73.42 109.799 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.77 -32.67 74.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.619 -0.719 . . . . 75.52 110.861 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -66.25 -45.54 80.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 73.13 111.484 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -36.89 73.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.769 -0.373 . . . . 74.15 110.346 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.98 -38.07 89.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.299 -0.409 . . . . 61.12 110.52 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB3' ' HE3' ' A' ' 38' ' ' LYS . 22.6 mmmt -64.89 -16.18 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.845 0.355 . . . . 75.53 111.395 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -87.65 -47.33 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.286 -0.416 . . . . 72.2 110.98 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.29 -15.62 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.866 0.691 . . . . 70.32 112.866 -172.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m120 57.04 64.47 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.605 0.717 . . . . 73.04 109.847 -173.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.434 HD12 ' OE2' ' A' ' 13' ' ' GLU . 31.0 mt -81.47 -48.04 12.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.859 -1.064 . . . . 74.53 110.759 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -100.05 134.16 43.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.584 -0.735 . . . . 75.12 110.095 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.22 -42.79 71.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 65.52 110.106 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.43 92.97 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.558 -0.746 . . . . 70.21 109.552 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.24 -41.01 87.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 74.15 111.728 -173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.29 -45.37 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.681 0.277 . . . . 73.12 110.485 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.06 94.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.015 -0.612 . . . . 72.45 112.295 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.585 HG23 HD23 ' A' ' 10' ' ' LEU . 34.9 m -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.338 . . . . 74.21 110.588 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.51 -49.38 77.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.521 . . . . 73.25 110.571 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -60.71 -40.34 91.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.14 -0.936 . . . . 75.44 111.473 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.29 73.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.194 0.521 . . . . 74.45 110.703 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.712 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . . . -67.2 -31.43 71.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.574 -0.739 . . . . 73.44 111.131 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 86.0 tttt -62.97 -46.11 89.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.717 0.294 . . . . 73.4 110.619 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.86 -24.36 59.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 74.24 111.444 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB3' HG12 ' A' ' 58' ' ' ILE . 65.9 ttt180 -85.42 4.67 34.41 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.885 0.374 . . . . 71.25 110.448 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 58.59 30.58 20.03 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.93 -0.577 . . . . 74.21 111.642 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.712 ' HB ' ' HB3' ' A' ' 53' ' ' ALA . 42.4 mm -82.23 -50.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.352 -0.61 . . . . 71.04 109.352 174.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.1 m -134.5 171.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.334 -0.848 . . . . 75.24 110.024 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.712 ' HB ' HD13 ' A' ' 79' ' ' LEU . 6.6 t -142.6 147.53 35.98 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.105 0.479 . . . . 75.14 110.032 174.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -162.0 149.7 11.89 Favored Pre-proline 0 C--N 1.317 -0.807 0 N-CA-C 107.976 -1.12 . . . . 75.12 107.976 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo . . . . . 0 C--O 1.234 0.307 0 C-N-CA 121.955 1.77 . . . . 75.52 111.921 -176.679 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.597 ' HA ' HG22 ' A' ' 74' ' ' VAL . 2.5 p-80 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.704 0.287 . . . . 65.52 110.967 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -36.16 75.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.004 0.372 . . . . 71.41 112.004 -170.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -93.61 8.96 38.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 75.1 110.81 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 71' ' ' HIS . 58.7 t -74.72 123.41 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 74.32 110.589 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.69 114.87 27.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.868 -0.606 . . . . 64.23 109.755 175.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.7 mp -85.85 121.86 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.187 -0.672 . . . . 74.04 109.187 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -103.1 130.01 53.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.062 -0.517 . . . . 75.52 111.52 -172.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.6 tp -80.28 112.61 17.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.819 . . . . 75.52 109.286 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 60' ' ' THR . 82.6 mt -85.1 -35.98 21.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 72.02 110.861 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.003 -0.544 . . . . 73.04 109.723 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 t0 . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 121.321 0.581 . . . . 75.53 110.335 179.702 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 7' ' ' VAL . 8.4 p . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.029 0.381 . . . . 74.0 112.029 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.43 -37.29 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.098 0.475 . . . . 71.23 110.993 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -75.36 -33.94 61.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 74.42 110.119 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -72.73 -33.47 66.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 73.31 111.478 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 3' ' ' VAL . 57.9 t -66.3 -48.16 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.704 0.287 . . . . 71.44 110.577 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -59.39 -41.03 88.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.872 0.368 . . . . 74.53 110.48 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 42' ' ' LEU . 56.7 tp -58.17 -46.85 85.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.77 . . . . 73.13 110.033 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 14' ' ' ILE . 56.2 tp -56.51 -47.0 80.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 74.21 110.607 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 7' ' ' VAL . 74.6 t -56.03 -45.84 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.626 . . . . 64.05 111.436 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mm-40 -67.77 -38.6 83.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.224 -0.443 . . . . 72.53 111.505 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 63.8 mm-40 -63.62 -41.11 98.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 73.34 110.231 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' LEU . 81.5 mt -63.59 -33.96 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 74.31 110.284 176.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.635 ' HA ' HD13 ' A' ' 26' ' ' LEU . 44.5 m170 -60.11 -46.49 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 72.1 111.354 178.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH1' HD12 ' A' ' 17' ' ' LEU . 6.3 ppt_? -87.2 -27.22 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.489 0.551 . . . . 74.52 112.489 -172.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' NH1' ' A' ' 16' ' ' ARG . 6.4 tp -104.49 -2.79 24.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.012 0.375 . . . . 72.12 112.012 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.88 164.43 14.42 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.347 -0.93 . . . . 73.41 113.484 -174.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.0 t -121.61 155.85 34.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.79 -0.818 . . . . 65.03 108.79 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -84.46 136.1 33.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.423 0.63 . . . . 75.35 112.2 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.651 HD22 ' HB3' ' A' ' 27' ' ' SER . 41.0 m-80 -75.9 -179.19 4.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.695 -1.139 . . . . 75.21 110.4 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.53 -16.85 62.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.22 0.533 . . . . 53.21 110.11 174.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -78.73 -16.94 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.625 -0.716 . . . . 73.23 109.803 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 -1.67 70.18 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.733 -0.667 . . . . 74.33 112.488 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 57.1 mttp -92.1 150.75 20.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.589 0.233 . . . . 73.05 110.511 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 15' ' ' HIS . 60.0 mt -77.74 142.58 38.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.38 0.61 . . . . 75.41 111.601 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.651 ' HB3' HD22 ' A' ' 21' ' ' ASN . 6.5 p -135.31 143.28 46.1 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 74.03 110.342 176.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 14' ' ' ILE . 14.8 p -128.11 144.75 36.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.655 -0.498 . . . . 75.3 109.655 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB2' HG12 ' A' ' 32' ' ' VAL . 27.2 mmmt -77.51 149.59 34.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.254 0.55 . . . . 74.14 110.803 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -67.13 -40.81 86.87 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.105 -0.952 . . . . 73.44 110.47 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -46.66 89.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.891 -0.671 . . . . 70.33 112.91 -176.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 29' ' ' LYS . 13.7 p -66.96 -39.87 84.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 72.23 110.794 -177.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.36 -46.08 67.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.17 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.3 -37.5 83.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 73.23 110.633 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -70.21 -46.06 65.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.866 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.28 -41.24 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.721 -172.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.02 -35.79 81.41 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.882 -0.327 . . . . 72.43 111.232 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.24 -18.75 17.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.581 0.586 . . . . 75.14 112.581 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -87.61 -21.0 25.6 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.085 0.402 . . . . 72.43 112.085 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.63 -28.6 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.143 -0.348 . . . . 63.02 111.804 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 57.71 55.26 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.505 0.669 . . . . 75.54 110.745 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.662 ' HB3' HD22 ' A' ' 9' ' ' LEU . 86.9 mt -80.57 -39.65 27.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.231 -0.895 . . . . 72.42 109.016 178.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -105.23 97.28 7.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.049 -0.978 . . . . 75.14 109.624 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.06 -29.83 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.389 0.614 . . . . 75.13 110.314 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 85.17 2.16 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.453 -0.794 . . . . 63.15 109.241 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 56.7 tp -55.72 -42.57 75.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.875 -0.602 . . . . 75.22 111.321 -175.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.61 -37.02 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.46 . . . . 74.2 110.233 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -47.5 61.68 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.82 -0.627 . . . . 74.22 112.033 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -61.67 -39.43 91.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.664 0.269 . . . . 75.45 110.62 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.458 HD22 HD21 ' A' ' 10' ' ' LEU . 85.0 mt -61.42 -48.08 82.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 72.2 110.579 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -39.16 92.34 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.387 -0.369 . . . . 74.24 111.113 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.05 -52.99 61.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.193 0.52 . . . . 73.11 110.917 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.502 ' HB3' HG11 ' A' ' 7' ' ' VAL . . . -72.91 -31.67 64.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.657 -0.701 . . . . 60.42 111.167 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 82.9 tttt -65.44 -40.7 93.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.017 0.437 . . . . 73.35 110.129 177.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -73.54 -22.66 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 75.42 111.455 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -91.01 2.17 56.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.433 -0.349 . . . . 74.22 110.873 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 62.16 27.54 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.647 -0.706 . . . . 73.35 110.856 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.6 mt -86.87 -37.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.197 -0.911 . . . . 71.32 109.715 178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 53' ' ' ALA . 26.3 m -135.09 167.99 24.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.809 -0.632 . . . . 73.14 109.626 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.51 ' HB ' HD12 ' A' ' 79' ' ' LEU . 1.9 t -156.93 152.85 27.22 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.84 -0.43 . . . . 72.4 109.84 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 26.0 p90 -158.01 146.06 13.94 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 109.005 -0.739 . . . . 73.25 109.005 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.896 ' HD2' HG11 ' A' ' 74' ' ' VAL . 26.7 Cg_exo . . . . . 0 N--CA 1.462 -0.374 0 C-N-CA 122.267 1.978 . . . . 71.5 111.792 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 . . . . . 0 C--O 1.225 -0.222 0 N-CA-C 111.991 0.367 . . . . 74.52 111.991 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -32.12 7.4 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.836 0.454 . . . . 72.03 111.355 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -85.54 0.51 52.23 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.036 -0.529 . . . . 73.31 111.608 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.896 HG11 ' HD2' ' A' ' 62' ' ' PRO . 38.5 t -74.61 121.14 25.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.416 -0.587 . . . . 72.3 109.416 174.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 3.0 m-20 -89.22 120.65 30.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.644 -0.707 . . . . 71.02 110.461 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.5 mp -86.1 108.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.341 -0.985 . . . . 71.13 108.341 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' ' 27' ' ' SER . 61.5 mt -95.38 127.99 46.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.621 -0.718 . . . . 71.3 110.826 -172.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.6 tp -80.45 110.54 16.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.507 -0.77 . . . . 71.32 109.511 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.51 HD12 ' HB ' ' A' ' 60' ' ' THR . 86.2 mt -87.62 -33.73 18.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.857 -0.61 . . . . 73.54 110.666 -176.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 24.1 tt0 -131.23 132.3 44.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.022 -0.536 . . . . 74.3 110.403 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.319 -0.727 0 N-CA-C 109.605 -0.517 . . . . 74.23 109.605 176.077 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.567 ' O ' HG21 ' A' ' 7' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 112.745 0.646 . . . . 73.02 112.745 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.56 -42.28 82.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 73.13 111.194 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -79.84 -29.63 40.16 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.765 -0.374 . . . . 75.44 110.606 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -71.19 -29.02 64.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 75.43 110.585 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.567 HG21 ' O ' ' A' ' 3' ' ' VAL . 81.5 t -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.763 -0.458 . . . . 72.41 109.763 172.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.522 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.0 m-20 -61.92 -36.56 81.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.948 0.404 . . . . 73.42 110.234 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 63.0 tp -64.6 -42.3 95.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 73.21 109.536 175.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.574 HD23 HD22 ' A' ' 50' ' ' LEU . 56.9 tp -56.73 -49.7 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.433 -0.803 . . . . 75.35 110.681 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 8' ' ' ASN . 2.9 m -67.43 -30.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.552 -0.295 . . . . 65.41 110.537 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -66.3 -45.13 81.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.875 0.369 . . . . 74.14 110.017 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 19.9 mm-40 -60.98 -39.61 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 55.43 109.887 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 68.3 mt -66.19 -33.87 66.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.742 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.546 ' HA ' HD12 ' A' ' 26' ' ' LEU . 64.9 m170 -55.03 -48.5 73.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.927 0.394 . . . . 74.35 110.632 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -87.38 -45.41 10.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 75.13 112.129 -174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.0 mt -79.86 -29.74 40.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.629 0.252 . . . . 73.22 111.43 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.76 162.07 31.24 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.572 -0.823 . . . . 63.41 112.425 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -118.37 155.72 30.2 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.932 -0.395 . . . . 75.12 109.932 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.51 124.75 29.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 75.23 110.257 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -78.53 175.02 10.73 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.109 -0.95 . . . . 75.54 109.441 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -9.28 39.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.534 0.683 . . . . 73.41 110.015 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.22 -0.02 50.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.925 -1.034 . . . . 75.24 109.817 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.95 24.93 75.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.647 -0.706 . . . . 71.44 112.849 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -135.25 151.16 50.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.735 -0.273 . . . . 75.03 111.013 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 15' ' ' HIS . 82.7 mt -76.57 136.5 39.26 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.755 -0.657 . . . . 74.24 110.913 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -143.86 147.35 33.93 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.315 -0.402 . . . . 71.4 110.473 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.41 136.79 14.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 74.41 109.078 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 39.9 mtmt -70.69 143.32 51.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.129 0.49 . . . . 73.14 111.22 -177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 7.9 t80 -56.16 -41.6 75.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 72.22 110.286 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.86 -31.44 72.01 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.15 -0.548 . . . . 61.02 113.304 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.56 -51.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 72.5 110.609 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.64 -41.78 92.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.903 -0.59 . . . . 73.5 110.225 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.13 -38.12 73.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.025 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -61.28 -50.36 73.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.749 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.58 -41.86 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.402 . . . . 70.12 110.369 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.849 -0.614 . . . . 72.15 111.628 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HA ' ' HE3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.9 -19.78 63.4 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.845 -0.342 . . . . 74.12 111.643 -178.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -88.06 -47.22 8.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.495 -0.321 . . . . 75.31 110.672 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -22.52 23.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 63.31 112.322 -173.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.474 HD21 ' HA ' ' A' ' 41' ' ' ASN . 3.5 m120 60.0 62.33 1.67 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.642 0.734 . . . . 54.12 110.34 -172.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.28 -48.05 13.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.003 . . . . 75.54 109.759 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 10' ' ' LEU . 34.6 m-85 -114.55 103.52 11.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 74.23 109.271 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -52.74 -44.31 66.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.968 -0.56 . . . . 75.1 110.53 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.31 84.52 2.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 52.11 109.584 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.49 -42.0 77.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.759 -0.655 . . . . 74.21 111.227 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.573 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.4 p -61.35 -40.5 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.721 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.03 -42.98 94.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.919 -0.657 . . . . 72.22 112.279 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.473 HG21 HD22 ' A' ' 10' ' ' LEU . 8.8 m -61.3 -39.62 91.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.034 0.445 . . . . 72.55 110.499 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.574 HD22 HD23 ' A' ' 10' ' ' LEU . 95.0 mt -67.78 -43.03 80.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.002 -0.545 . . . . 73.21 110.822 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 13.9 mmmm -58.06 -45.67 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 73.43 110.778 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -52.2 66.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.718 -0.674 . . . . 74.43 110.834 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -68.35 -36.44 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.065 -0.516 . . . . 71.23 111.54 -176.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 83.8 tttt -63.71 -46.46 85.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 75.51 110.525 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -78.27 -19.23 54.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.789 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.479 ' HD3' HD11 ' A' ' 58' ' ' ILE . 27.1 ttt180 -85.07 -0.09 53.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.322 -0.622 . . . . 72.41 109.322 172.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.52 28.05 15.2 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.727 -1.124 . . . . 75.34 111.843 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.69 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 87.1 mt -86.27 -41.12 14.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.247 -0.888 . . . . 75.22 109.902 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.0 m -131.57 167.37 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.141 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.409 ' HB ' HD13 ' A' ' 79' ' ' LEU . 12.1 t -150.02 152.64 35.19 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.308 -0.627 . . . . 70.35 109.308 174.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -157.75 150.54 18.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.02 -0.536 . . . . 73.41 109.691 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo . . . . . 0 C--O 1.234 0.279 0 C-N-CA 122.378 2.052 . . . . 70.15 111.923 -179.749 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.513 ' HA ' HG22 ' A' ' 74' ' ' VAL . 1.4 p-80 . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.533 0.568 . . . . 75.41 112.533 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.427 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 19.8 t70 -71.94 -31.06 65.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.715 -0.394 . . . . 70.22 111.174 -176.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.2 9.09 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.835 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 71' ' ' HIS . 20.9 t -90.45 115.34 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.032 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -96.65 118.35 32.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.072 -0.714 . . . . 70.41 109.072 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.12 108.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.839 -0.8 . . . . 75.35 108.839 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.5 mt -100.01 124.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.554 -0.748 . . . . 71.32 111.191 -171.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.02 116.97 20.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 74.31 110.131 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' A' ' 60' ' ' THR . 94.3 mt -93.71 -40.06 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.199 0.523 . . . . 74.25 110.431 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.69 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -123.35 131.47 53.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.634 -0.712 . . . . 75.35 109.498 -178.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.7 t0 . . . . . 0 C--N 1.318 -0.791 0 N-CA-C 109.439 -0.578 . . . . 73.14 109.439 -178.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.514 ' O ' HG22 ' A' ' 7' ' ' VAL . 13.5 p . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 113.13 0.789 . . . . 73.21 113.13 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.04 -37.07 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 74.44 110.982 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -79.79 -32.88 40.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.397 -0.365 . . . . 74.31 110.759 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.22 -45.19 88.1 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.679 -0.489 . . . . 75.44 109.679 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 3' ' ' VAL . 57.8 t -62.97 -43.82 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 115.671 -0.695 . . . . 75.11 111.557 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.511 ' O ' HG23 ' A' ' 11' ' ' VAL . 87.2 m-20 -67.82 -32.71 73.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 73.34 110.353 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.11 -36.82 85.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.662 -0.496 . . . . 74.44 109.662 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.693 HD21 HG22 ' A' ' 49' ' ' THR . 57.7 tp -58.42 -45.84 87.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 73.32 110.57 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.57 -33.82 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.034 -0.358 . . . . 75.55 110.034 -179.187 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 1.9 mm-40 -65.33 -38.98 91.78 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.348 -0.387 . . . . 71.32 110.961 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -66.02 -43.62 87.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.514 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.505 HG22 ' HB2' ' A' ' 78' ' ' LEU . 64.9 mt -62.67 -34.05 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 75.12 110.395 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 63.8 m170 -57.39 -52.23 66.19 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.439 -0.346 . . . . 75.51 111.138 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -86.96 -44.15 11.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 74.42 112.618 -171.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -87.71 -12.51 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.662 0.245 . . . . 74.12 111.662 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.46 167.5 32.61 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.593 -0.813 . . . . 74.41 112.965 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -125.12 159.1 32.26 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.377 -0.601 . . . . 71.34 109.377 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.25 127.9 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.784 0.802 . . . . 51.54 111.207 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.07 169.75 12.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.243 -1.344 . . . . 74.0 108.938 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.57 64.96 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.605 0.594 . . . . 74.31 112.605 -172.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.82 5.73 38.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.953 0.353 . . . . 73.35 111.953 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.97 61.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.323 -0.941 . . . . 73.13 111.222 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -94.15 164.56 13.01 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.335 -0.617 . . . . 74.24 109.335 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.13 120.8 41.36 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.652 -0.499 . . . . 73.24 109.652 176.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 29.0 t -124.97 143.49 50.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.797 0.332 . . . . 75.12 111.066 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -147.08 140.37 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.849 -0.614 . . . . 62.11 110.195 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 37.4 mtmt -70.52 148.27 48.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.194 0.521 . . . . 73.42 111.407 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.97 -40.41 89.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.354 -0.839 . . . . 73.23 111.2 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.72 -44.5 97.41 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.076 -0.583 . . . . 63.42 112.754 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.29 -43.75 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 71.13 110.434 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.479 HD23 ' HE2' ' A' ' 43' ' ' PHE . 4.7 tt -64.49 -45.8 85.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.714 -0.675 . . . . 73.35 109.845 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.64 -42.53 88.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 75.3 110.363 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -48.38 75.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.702 . . . . 74.4 111.696 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.92 -44.81 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.84 -0.344 . . . . 74.11 110.85 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.36 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 74.42 111.422 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HA ' ' HZ2' ' A' ' 38' ' ' LYS . 5.3 mmpm? -75.21 -19.12 59.96 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.746 -0.596 . . . . 74.22 110.921 177.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -88.5 -46.75 8.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.17 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.34 -21.74 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.128 0.418 . . . . 74.55 112.128 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 56.7 68.51 0.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.558 0.694 . . . . 72.41 109.515 -170.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.5 -48.09 12.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.1 -0.955 . . . . 74.54 110.507 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.479 ' HE2' HD23 ' A' ' 33' ' ' LEU . 66.8 m-85 -98.11 122.0 40.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.602 -0.726 . . . . 72.31 110.444 -176.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.87 -33.57 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.094 -0.706 . . . . 74.32 109.094 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.63 84.27 2.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.38 -0.827 . . . . 64.23 109.683 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.26 -56.97 15.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.986 -0.552 . . . . 71.32 111.57 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.19 -33.58 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.835 -0.346 . . . . 75.42 110.591 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.94 99.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.619 -0.801 . . . . 74.44 111.728 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.693 HG22 HD21 ' A' ' 10' ' ' LEU . 62.8 m -59.66 -43.19 94.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 74.22 110.546 176.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.15 -50.1 67.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 60.03 110.757 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -61.0 -36.76 80.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.745 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.53 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 52.32 111.099 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.633 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -68.0 -35.26 78.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.728 -0.669 . . . . 75.44 111.861 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.6 tttt -64.77 -44.87 88.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.833 0.349 . . . . 75.13 110.417 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -71.58 -24.23 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.027 0.441 . . . . 72.23 110.846 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.539 ' HB2' HG12 ' A' ' 58' ' ' ILE . 69.5 mtt180 -84.44 -1.54 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.934 176.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 57.92 28.89 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.359 0.599 . . . . 74.21 111.169 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.633 ' HB ' ' HB2' ' A' ' 53' ' ' ALA . 36.0 mm -74.85 -43.74 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 108.014 -1.106 . . . . 75.34 108.014 172.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.8 m -137.21 166.32 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.323 -1.308 . . . . 75.03 109.018 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.471 ' HB ' HD11 ' A' ' 79' ' ' LEU . 10.3 t -144.64 149.19 35.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.887 0.375 . . . . 73.34 110.232 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.499 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -157.98 144.09 12.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 74.34 109.116 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 32.5 Cg_exo . . . . . 0 C--O 1.237 0.437 0 C-N-CA 122.422 2.081 . . . . 74.11 111.457 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 109.886 -0.413 . . . . 74.41 109.886 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.476 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 8.6 t70 -65.14 -21.44 66.79 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.878 -0.601 . . . . 72.35 111.386 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.89 4.6 28.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.825 0.821 . . . . 73.52 110.292 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 62' ' ' PRO . 88.9 t -112.39 125.6 69.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 73.1 110.665 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 5.3 m-20 -91.48 136.41 33.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.849 -0.614 . . . . 73.0 110.782 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.499 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.2 mp -97.17 121.31 47.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.679 -0.859 . . . . 74.22 108.679 175.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.48 130.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.962 0.411 . . . . 72.25 111.411 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.505 ' HB2' HG22 ' A' ' 14' ' ' ILE . 38.2 tp -80.3 128.1 33.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 74.31 109.946 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.471 HD11 ' HB ' ' A' ' 60' ' ' THR . 71.1 mt -106.79 -41.33 5.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.983 -0.553 . . . . 73.43 110.779 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.579 ' NE2' HD13 ' A' ' 58' ' ' ILE . 44.5 mt-30 -111.44 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.964 -0.562 . . . . 75.13 110.557 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 109.454 -0.572 . . . . 74.4 109.454 175.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.588 ' HA ' ' OE1' ' A' ' 6' ' ' GLU . 8.6 p . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 113.031 0.752 . . . . 75.42 113.031 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.49 -26.93 65.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.526 -0.306 . . . . 71.32 111.324 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -79.39 -35.82 40.12 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.592 -0.521 . . . . 64.51 109.592 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.588 ' OE1' ' HA ' ' A' ' 3' ' ' VAL . 3.9 mp0 -72.47 -38.17 68.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.364 -0.834 . . . . 73.31 110.317 178.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 3' ' ' VAL . 88.5 t -62.38 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.119 174.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.12 -33.73 76.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.874 -0.603 . . . . 73.23 110.141 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.604 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.5 tp -68.81 -43.11 76.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.88 -0.6 . . . . 74.43 110.218 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 49' ' ' THR . 59.7 tp -56.26 -44.14 79.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.979 -0.555 . . . . 74.21 109.997 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.87 -36.94 75.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.282 -0.872 . . . . 75.41 110.915 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.8 tp10 -64.21 -45.87 86.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.078 0.466 . . . . 75.25 110.725 177.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 3.2 mm-40 -61.91 -35.65 78.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.807 -0.633 . . . . 73.21 110.393 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 78' ' ' LEU . 63.2 mt -67.3 -32.35 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.832 -0.622 . . . . 71.12 110.309 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -66.93 -37.41 84.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.993 0.425 . . . . 72.02 110.243 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.481 HH21 ' CD ' ' A' ' 13' ' ' GLU . 42.3 mtm105 -81.01 -49.24 11.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 71.42 112.016 -174.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.14 -2.75 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 73.15 111.198 -173.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . -89.13 132.6 11.34 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.647 -0.787 . . . . 62.32 113.069 -175.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -99.17 157.09 16.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.809 -0.811 . . . . 71.12 108.809 175.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -77.03 133.22 39.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.238 1.018 . . . . 65.32 112.421 -174.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -88.72 176.0 7.27 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.51 -1.677 . . . . 64.32 109.785 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.23 74.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.652 0.612 . . . . 73.13 112.652 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.694 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 7.1 m-20 -79.45 -7.98 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.234 . . . . 52.31 111.223 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.49 12.34 56.03 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.74 -0.944 . . . . 72.14 110.74 -171.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.694 ' HG3' ' HB2' ' A' ' 23' ' ' ASP . 16.6 mttp -84.53 168.23 15.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 64.31 109.582 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.18 136.21 41.4 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.657 -0.497 . . . . 74.44 109.657 172.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -138.77 142.02 38.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.88 0.371 . . . . 72.33 110.199 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.53 137.93 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.287 -0.415 . . . . 71.12 110.142 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 75' ' ' ASP . 63.6 mttm -79.14 146.23 33.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.702 -0.226 . . . . 73.43 110.767 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -53.51 -41.92 66.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 64.1 111.442 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -38.1 79.6 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 121.173 -0.537 . . . . 73.13 112.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.17 -43.27 37.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.058 0.456 . . . . 75.54 110.569 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.48 -45.22 80.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.903 -0.589 . . . . 74.3 110.068 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.463 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 49.3 t80 -58.35 -39.76 80.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.769 -0.651 . . . . 74.14 110.322 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -53.29 -47.36 69.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.822 -0.626 . . . . 74.44 111.11 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -40.25 74.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 74.22 110.353 -174.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.04 -43.41 95.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 73.21 111.098 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 31.0 mmmt -60.95 -14.5 23.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.045 0.387 . . . . 74.44 112.045 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -80.74 -42.07 22.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 74.42 111.163 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.75 -11.33 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.732 0.641 . . . . 74.15 112.732 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 54.01 71.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.849 0.833 . . . . 73.52 109.035 -167.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.38 -41.69 21.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.576 -1.193 . . . . 74.43 110.265 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -108.47 106.44 16.54 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.634 -0.712 . . . . 75.55 110.244 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.36 -40.7 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.163 0.506 . . . . 74.24 109.841 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.89 86.92 2.53 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.086 -0.709 . . . . 74.33 109.086 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.96 -45.72 82.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.877 -0.601 . . . . 74.11 110.766 -176.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.26 -37.25 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 72.22 110.732 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.14 85.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.939 -0.648 . . . . 60.23 112.327 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.507 HG21 HD22 ' A' ' 10' ' ' LEU . 32.4 m -59.39 -41.44 89.37 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.725 0.298 . . . . 72.23 110.674 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 10' ' ' LEU . 96.3 mt -61.3 -48.31 81.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.303 -0.408 . . . . 75.35 110.497 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -58.73 -41.79 87.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.952 -0.567 . . . . 73.0 111.208 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.22 70.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 74.45 111.18 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . . . -74.6 -26.99 60.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.889 -0.596 . . . . 74.41 111.119 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 81.5 tttt -67.41 -39.04 85.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.787 -0.449 . . . . 73.34 109.787 177.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.75 -38.35 90.7 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.255 -0.43 . . . . 70.32 110.682 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.54 8.76 18.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.802 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 10.8 mptt 60.85 23.14 13.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.97 0.508 . . . . 74.15 111.487 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.696 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 88.3 mt -79.9 -47.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.976 -0.556 . . . . 75.54 109.813 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.472 HG22 ' HB1' ' A' ' 53' ' ' ALA . 30.9 m -129.94 161.44 39.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.96 -0.564 . . . . 72.34 110.066 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.6 t -142.75 148.06 36.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 72.11 110.098 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.612 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -155.03 136.86 9.58 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 108.775 -0.824 . . . . 75.43 108.775 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 37.3 Cg_exo . . . . . 0 C--O 1.236 0.381 0 C-N-CA 122.191 1.928 . . . . 75.32 111.651 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.414 ' HA ' HG23 ' A' ' 74' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.828 0.347 . . . . 64.02 110.859 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.07 -37.98 84.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 72.51 111.199 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.13 8.07 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.968 -0.56 . . . . 72.33 111.278 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.418 ' CG1' ' HD2' ' A' ' 62' ' ' PRO . 76.2 t -79.39 127.9 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 74.34 110.617 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 5.1 m-20 -86.74 130.22 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.48 -0.782 . . . . 72.44 111.036 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.612 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mp -94.45 119.36 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.766 -0.827 . . . . 73.11 108.766 172.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -100.64 128.28 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.084 -0.507 . . . . 75.4 111.059 -174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 14' ' ' ILE . 41.7 tp -81.96 110.95 17.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 74.21 109.835 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.46 -42.19 11.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.278 0.561 . . . . 75.42 110.419 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.696 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 29.3 tt0 -125.83 133.63 51.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.599 -0.728 . . . . 72.3 109.991 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 109.46 -0.571 . . . . 75.51 109.46 179.578 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.626 ' O ' HG21 ' A' ' 7' ' ' VAL . 11.8 p . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.522 0.564 . . . . 71.12 112.522 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -61.41 -41.35 97.02 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.836 0.35 . . . . 71.13 110.743 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -64.66 -42.82 95.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 73.25 110.141 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.22 -34.43 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 74.33 110.22 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 3' ' ' VAL . 61.6 t -68.28 -39.15 80.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.32 175.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -31.49 72.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.038 0.447 . . . . 65.45 110.149 174.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.9 tp -69.69 -44.51 70.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.881 -0.599 . . . . 74.42 109.536 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 49' ' ' THR . 55.3 tp -56.57 -52.47 64.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.527 -0.761 . . . . 71.45 110.81 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.3 -30.57 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 75.43 111.271 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 31.8 tt0 -70.92 -45.35 64.4 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.667 0.27 . . . . 63.4 110.457 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.496 ' HA ' ' OE1' ' A' ' 13' ' ' GLU . 30.7 mm-40 -63.51 -34.51 77.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.667 0.27 . . . . 74.34 110.753 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' LEU . 92.4 mt -63.92 -33.56 62.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 74.14 110.418 175.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 2.4 m-70 -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.38 . . . . 75.14 111.272 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.469 HH21 ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -84.39 -48.35 9.75 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.188 0.44 . . . . 71.54 112.188 -176.234 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.33 -18.6 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.741 0.305 . . . . 74.24 111.402 -174.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.81 162.01 33.86 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.576 -0.821 . . . . 63.23 113.016 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -126.36 159.17 33.95 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.576 -0.898 . . . . 75.21 108.576 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -75.33 127.09 32.37 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 122.135 0.969 . . . . 73.43 111.253 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -86.12 172.48 10.54 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.614 -1.63 . . . . 71.35 109.565 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.4 -25.61 68.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.178 -0.464 . . . . 75.31 111.494 -175.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.6 -11.42 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.179 -0.464 . . . . 64.31 111.358 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.96 2.53 71.5 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 110.474 -1.05 . . . . 73.25 110.474 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -84.88 145.83 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.645 -0.777 . . . . 73.51 110.068 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.78 128.89 33.98 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.451 -0.574 . . . . 74.22 109.451 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -136.97 143.03 42.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.855 0.359 . . . . 54.52 110.74 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.86 138.27 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.859 -0.609 . . . . 74.52 110.177 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.68 142.14 38.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 74.21 111.296 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -69.59 -26.7 64.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 73.42 110.78 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.41 -48.09 81.68 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.704 -0.76 . . . . 71.12 112.102 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.11 -41.21 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.724 0.297 . . . . 64.44 110.911 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 75.53 110.159 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -66.87 -35.21 79.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.72 0.295 . . . . 71.05 110.291 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -61.0 -47.89 84.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 75.53 110.467 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.61 -48.75 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 72.23 110.993 178.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -31.26 71.44 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 116.534 -0.303 . . . . 73.54 111.074 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 38' ' ' LYS . 44.5 tptt -58.83 -28.65 66.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.967 0.413 . . . . 74.21 111.116 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 m -87.44 -16.9 33.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.125 -0.489 . . . . 74.14 111.906 -177.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.23 -33.64 3.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.645 0.609 . . . . 74.11 112.645 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.9 m120 55.73 63.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.359 0.664 . . . . 74.33 110.464 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -80.53 -45.35 17.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.532 -0.758 . . . . 75.43 109.815 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CD2' HD13 ' A' ' 46' ' ' LEU . 64.0 m-85 -88.03 109.16 19.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.427 -0.806 . . . . 73.22 110.31 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.75 -53.3 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.356 -0.609 . . . . 75.32 109.356 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.34 84.81 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.693 -0.685 . . . . 71.24 109.822 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 43' ' ' PHE . 39.1 tp -58.2 -42.52 86.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 75.31 110.891 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.25 -32.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.159 -0.473 . . . . 72.35 110.299 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.73 -44.61 62.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.119 -0.562 . . . . 51.23 112.106 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.534 HG21 HD23 ' A' ' 10' ' ' LEU . 10.2 m -59.5 -43.71 93.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 74.41 110.722 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.38 -44.3 97.4 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.235 -0.438 . . . . 75.31 110.465 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 4.7 tptp -59.29 -45.89 90.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.02 -0.536 . . . . 74.51 110.737 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.819 -0.628 . . . . 74.23 111.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.87 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -75.24 -27.08 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.587 -0.733 . . . . 74.43 111.698 -176.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.33 -35.84 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.7 -0.4 . . . . 75.12 110.042 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 30.1 mmt180 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.061 0.458 . . . . 74.31 110.388 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.605 ' HB2' HG12 ' A' ' 58' ' ' ILE . 65.3 mtt180 -88.11 -1.19 57.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 73.24 111.586 -178.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 57' ' ' LYS . 33.0 mmtp 56.04 33.97 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.398 0.618 . . . . 71.25 111.041 -175.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.87 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 24.8 mm -72.18 -42.42 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 108.041 -1.096 . . . . 74.42 108.041 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 53' ' ' ALA . 28.8 m -135.63 171.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.494 -1.23 . . . . 74.51 109.156 177.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.9 t -152.09 150.89 30.42 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.72 -0.474 . . . . 52.23 109.72 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.519 ' HB3' HG13 ' A' ' 76' ' ' ILE . 27.5 p90 -157.55 148.16 16.11 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.097 -0.705 . . . . 64.43 109.097 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' HG12 ' A' ' 74' ' ' VAL . 52.9 Cg_exo . . . . . 0 C--O 1.234 0.301 0 C-N-CA 122.245 1.963 . . . . 74.1 111.878 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.574 ' HA ' HG22 ' A' ' 74' ' ' VAL . 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 113.241 0.83 . . . . 74.43 113.241 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.76 -34.59 71.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.914 -0.492 . . . . 74.52 111.773 -171.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -98.44 9.43 43.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.309 0.576 . . . . 72.11 110.819 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 71' ' ' HIS . 44.9 t -74.18 114.54 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.196 -0.456 . . . . 75.21 109.799 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.7 119.73 31.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.93 0.395 . . . . 75.13 110.812 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.519 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.4 mp -86.51 117.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.929 -0.767 . . . . 75.1 108.929 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.4 mt -96.24 126.17 48.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.054 -0.521 . . . . 72.3 110.947 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.9 tp -79.94 110.35 15.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.91 -0.586 . . . . 72.55 109.587 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 89.8 mt -88.73 -42.4 11.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.007 0.432 . . . . 74.44 110.376 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -107.05 130.46 54.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.53 -0.915 . . . . 75.1 108.53 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t0 . . . . . 0 C--N 1.317 -0.817 0 CA-C-O 121.327 0.584 . . . . 74.32 110.429 -176.572 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.764 -0.458 . . . . 72.31 109.764 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -87.98 116.63 26.29 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.287 -1.005 . . . . 75.32 108.287 170.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 7' ' ' VAL . 9.1 p -52.8 -23.88 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 O-C-N 123.623 0.577 . . . . 74.3 112.157 -172.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.59 -34.05 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 75.22 111.212 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -82.45 -36.5 26.53 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.704 0.764 . . . . 73.43 109.311 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.78 -37.8 83.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.246 -1.343 . . . . 72.13 111.343 -177.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 3' ' ' VAL . 97.3 t -56.15 -47.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.022 -0.536 . . . . 71.54 110.943 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 95.4 m-20 -73.05 -30.99 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 74.21 110.953 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.436 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 55.0 tp -62.67 -43.71 98.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.485 -0.561 . . . . 73.32 109.485 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.537 HD22 HG21 ' A' ' 49' ' ' THR . 50.2 tp -57.28 -50.97 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.15 -0.932 . . . . 75.33 111.023 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.47 HG23 ' HA ' ' A' ' 8' ' ' ASN . 22.7 m -64.78 -29.85 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.478 -0.328 . . . . 75.35 111.609 -176.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 35.6 mt-10 -69.77 -48.11 60.48 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.054 -0.35 . . . . 73.12 110.054 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.436 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.5 mm-40 -60.47 -40.5 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 74.51 110.776 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' LEU . 87.9 mt -63.46 -33.11 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 75.43 110.593 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.449 ' HA ' HD11 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -64.76 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.663 -0.244 . . . . 72.43 111.241 178.352 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -45.48 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.205 0.446 . . . . 72.43 112.205 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -81.53 -23.75 37.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.011 0.374 . . . . 71.31 112.011 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.541 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -82.15 151.54 30.16 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.084 -0.579 . . . . 64.35 113.215 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -121.85 153.17 38.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.056 -0.72 . . . . 70.34 109.056 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -77.57 131.1 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.275 0.559 . . . . 74.41 111.855 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -88.88 -173.86 4.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.362 -0.835 . . . . 65.13 109.552 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.39 67.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.405 0.521 . . . . 61.14 112.405 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.32 -1.67 37.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.214 0.53 . . . . 73.11 110.977 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.06 -1.14 87.76 Favored Glycine 0 C--O 1.228 -0.242 0 C-N-CA 121.117 -0.563 . . . . 70.42 112.925 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 61.7 mttp -98.36 153.37 18.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.84 0.353 . . . . 71.2 110.874 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.449 HD11 ' HA ' ' A' ' 15' ' ' HIS . 95.1 mt -72.86 135.69 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.294 0.569 . . . . 73.33 110.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 13.8 m -143.67 142.12 30.85 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.658 -0.701 . . . . 75.12 109.804 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.541 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 7.2 p -133.33 136.65 54.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.969 -0.382 . . . . 71.02 109.969 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.69 141.1 51.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.76 0.314 . . . . 64.35 110.787 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -51.89 -41.07 61.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.562 -0.745 . . . . 75.54 111.305 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.62 -34.16 87.53 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.993 -0.622 . . . . 75.3 112.722 -178.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.18 -47.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.932 0.396 . . . . 71.13 110.464 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.01 -43.96 81.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 74.51 109.761 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 50.9 t80 -61.22 -37.88 84.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 74.43 110.479 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -48.02 77.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 73.33 110.77 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -41.21 84.26 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.989 -0.55 . . . . 75.24 110.845 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.85 -32.36 73.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.347 -0.388 . . . . 74.14 111.223 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 29.7 mmmt -64.0 -21.0 66.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.983 -0.448 . . . . 75.12 111.534 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -87.83 -48.25 7.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 74.51 111.351 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.91 -26.45 13.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.365 0.506 . . . . 70.44 112.365 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 m120 54.25 68.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.773 0.797 . . . . 74.24 110.172 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.03 -40.36 24.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.633 -1.167 . . . . 73.0 109.727 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -108.23 100.0 9.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.032 -0.986 . . . . 73.44 109.378 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.52 -30.59 67.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.107 0.479 . . . . 74.22 110.423 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.14 84.56 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 75.25 109.601 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.66 -44.68 89.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 73.43 110.993 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.39 -45.81 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.416 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.99 92.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.069 -0.586 . . . . 72.13 112.798 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.537 HG21 HD22 ' A' ' 10' ' ' LEU . 27.6 m -67.42 -42.18 83.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 71.0 110.205 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.02 -44.89 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.954 -0.566 . . . . 74.51 110.527 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -58.35 -46.28 86.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.856 -0.611 . . . . 73.13 111.088 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.1 -46.45 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 73.52 111.257 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.03 58.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 54.1 111.25 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -73.89 -32.24 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.893 -0.41 . . . . 60.42 109.893 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 3.0 mmp_? -73.39 -29.9 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 73.54 110.862 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -84.58 0.92 48.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 75.04 110.858 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . 2.1 mppt? 58.29 30.22 19.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.879 -0.6 . . . . 73.45 110.575 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.565 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 77.6 mt -83.97 -40.61 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.606 -0.725 . . . . 73.13 109.452 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.71 155.98 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 75.04 109.982 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.558 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.6 t -134.42 147.69 50.5 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.608 -0.516 . . . . 75.5 109.608 173.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.7 p90 -157.37 136.08 7.82 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.857 -0.611 . . . . 70.11 109.419 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.772 ' HD2' HG12 ' A' ' 74' ' ' VAL . 35.0 Cg_exo -58.75 139.01 88.94 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.357 2.038 . . . . 53.13 111.736 176.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.48 145.19 8.81 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.398 -0.906 . . . . 72.33 112.377 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -105.01 -55.9 2.25 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.682 -0.488 . . . . 75.12 109.682 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.0 mt -134.29 155.23 50.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.906 -0.588 . . . . 74.12 109.914 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -155.03 150.47 27.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.262 -0.274 . . . . 73.54 110.262 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -128.55 -41.6 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.199 0.523 . . . . 75.13 110.3 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -95.55 160.51 14.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 72.23 110.12 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.13 40.32 2.13 Favored Glycine 0 C--O 1.228 -0.265 0 C-N-CA 121.312 -0.47 . . . . 75.45 112.75 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 m -88.02 -11.01 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.421 0.629 . . . . 70.44 110.142 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -100.65 15.25 28.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.36 -0.836 . . . . 75.31 110.099 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -67.85 -21.85 65.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.516 . . . . 74.32 111.682 -174.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 -4.07 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.223 0.535 . . . . 51.52 110.983 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.772 HG12 ' HD2' ' A' ' 62' ' ' PRO . 51.3 t -73.96 119.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.915 -0.584 . . . . 60.32 110.614 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.51 124.71 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 75.13 110.449 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.405 ' O ' ' HA ' ' A' ' 27' ' ' SER . 7.7 mm -85.22 108.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.283 -1.006 . . . . 75.14 108.283 175.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -92.42 126.69 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.323 -0.399 . . . . 73.51 111.167 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.456 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 34.9 tp -80.26 110.16 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.539 -0.541 . . . . 72.41 109.539 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.558 HD11 ' HB ' ' A' ' 60' ' ' THR . 85.7 mt -88.87 -43.48 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.215 0.531 . . . . 75.2 110.233 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.9 tt0 -114.09 131.92 56.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.544 -0.753 . . . . 73.14 109.358 -177.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -118.74 117.71 29.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.453 0.644 . . . . 61.03 111.608 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.576 ' H ' HD23 ' A' ' 82' ' ' LEU . 2.4 pt? -121.71 3.66 10.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.094 -0.957 . . . . 72.41 109.368 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.648 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 0.4 OUTLIER -99.51 93.79 6.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.546 -0.752 . . . . 73.32 110.76 -172.523 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.648 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER 150.73 139.47 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 O-C-N 124.893 1.371 . . . . 73.02 110.077 166.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 . . . . . 0 C--N 1.318 -0.764 0 CA-C-O 118.544 -0.741 . . . . 75.13 109.455 176.328 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttp . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.567 0.222 . . . . 75.01 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.561 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 67.0 t30 -72.99 137.21 45.3 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.979 -0.378 . . . . 70.24 109.979 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.564 ' O ' HG22 ' A' ' 7' ' ' VAL . 14.4 p -56.03 -33.03 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 75.23 112.372 -172.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.86 86.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.003 0.43 . . . . 63.43 110.247 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -79.9 -31.67 40.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 74.32 111.022 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.561 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 6.9 mm-40 -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 64.21 110.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.564 HG22 ' O ' ' A' ' 3' ' ' VAL . 67.0 t -61.18 -44.06 97.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.184 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.549 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 34.2 m-20 -61.64 -43.04 99.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.437 -0.579 . . . . 73.32 109.437 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.695 HD22 ' HB3' ' A' ' 42' ' ' LEU . 60.0 tp -63.41 -35.39 80.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.598 . . . . 74.23 109.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.692 HD23 HG22 ' A' ' 49' ' ' THR . 44.6 tp -60.69 -52.25 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 74.42 110.139 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.421 HG22 ' HA ' ' A' ' 8' ' ' ASN . 30.8 m -67.27 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.472 -0.331 . . . . 73.51 110.959 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.566 ' HB3' HH21 ' A' ' 16' ' ' ARG . 42.5 mt-10 -61.93 -50.49 71.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 73.1 110.567 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -66.69 -40.81 88.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 65.5 110.924 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' LEU . 93.0 mt -60.26 -33.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 72.31 110.717 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.473 ' HA ' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 72.41 111.535 177.423 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.566 HH21 ' HB3' ' A' ' 12' ' ' GLU . 25.3 mtm-85 -88.21 -25.69 22.76 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.573 0.953 . . . . 73.31 113.573 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -97.25 -16.54 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.217 -0.302 . . . . 72.12 111.1 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.56 21.68 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.844 -0.693 . . . . 52.54 112.891 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -125.4 155.53 40.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.55 -0.537 . . . . 62.45 109.55 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -85.94 133.73 33.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.501 . . . . 72.54 111.273 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -87.04 -175.18 5.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.524 -0.762 . . . . 72.11 110.823 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -26.49 67.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 61.54 111.679 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.449 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t70 -79.17 -16.81 56.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 73.22 110.628 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.24 4.01 59.93 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.98 -0.629 . . . . 73.05 112.293 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 61.6 mttp -91.93 149.25 21.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.622 0.249 . . . . 71.45 110.401 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 15' ' ' HIS . 74.2 mt -77.26 144.48 38.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 73.23 110.528 176.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -143.22 141.8 31.2 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.583 -0.525 . . . . 74.11 109.583 174.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.92 137.28 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.723 -0.473 . . . . 75.01 109.723 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -74.29 129.07 37.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.991 0.424 . . . . 74.31 110.791 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 85.2 t80 -55.8 -41.5 74.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.276 -0.875 . . . . 74.54 111.766 -175.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.27 -39.8 93.05 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.862 -0.685 . . . . 73.43 112.514 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.06 -49.99 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.645 0.259 . . . . 74.53 110.403 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.36 -46.24 89.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 75.31 110.692 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.56 -47.99 81.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 74.53 110.817 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 ttm105 -67.55 -35.16 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.497 . . . . 74.21 110.589 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.04 -50.16 51.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.095 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.77 -44.95 90.77 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.879 -0.6 . . . . 73.1 111.564 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.945 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -66.73 -19.37 65.74 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.58 -0.448 . . . . 71.51 111.475 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -88.19 -34.75 17.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.002 0.43 . . . . 71.24 111.13 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.16 -30.46 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.181 0.437 . . . . 64.3 112.181 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.62 60.22 0.47 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.566 0.746 . . . . 71.1 110.109 -173.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.695 ' HB3' HD22 ' A' ' 9' ' ' LEU . 79.1 mt -81.87 -49.19 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.944 -1.025 . . . . 74.14 110.303 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.8 126.16 47.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.655 -0.702 . . . . 75.13 110.29 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.08 69.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.698 0.761 . . . . 74.33 109.132 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.26 84.23 2.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.866 . . . . 74.35 109.983 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.24 -48.4 81.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 70.32 110.921 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.96 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 75.53 110.632 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.36 96.9 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.966 -0.635 . . . . 53.52 112.166 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.692 HG22 HD23 ' A' ' 10' ' ' LEU . 32.0 m -63.26 -45.75 90.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.076 0.465 . . . . 75.22 110.522 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.57 -46.02 91.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.681 -0.69 . . . . 70.12 111.032 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -44.02 95.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 72.55 111.721 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -55.5 -52.12 64.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.923 -0.58 . . . . 73.53 111.042 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.667 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -72.33 -33.14 67.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 72.02 111.456 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.6 -38.53 87.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 75.44 110.43 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 19.3 mmt180 -76.16 -21.3 56.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.421 -0.354 . . . . 72.44 111.612 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.74 ' HB2' HG12 ' A' ' 58' ' ' ILE . 99.8 mtt180 -88.22 -0.01 56.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.573 0.225 . . . . 75.42 110.861 176.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 58.76 30.41 19.98 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.234 0.54 . . . . 73.05 110.756 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.74 HG12 ' HB2' ' A' ' 56' ' ' ARG . 33.9 mm -76.66 -45.1 33.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.47 -0.937 . . . . 73.41 108.47 173.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.71 166.74 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.036 -0.983 . . . . 74.24 109.792 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.408 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.8 t -145.52 148.2 32.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.323 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -162.2 133.5 3.83 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.558 -0.746 . . . . 75.13 109.899 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -77.34 140.61 19.6 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.668 2.245 . . . . 65.55 112.157 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.95 76.71 0.59 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.807 -0.711 . . . . 75.41 112.482 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -84.76 -15.48 44.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.221 0.534 . . . . 74.32 110.198 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 tp -88.47 81.59 7.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.701 -0.681 . . . . 74.11 109.518 174.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 pp -108.64 173.05 6.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.676 -0.693 . . . . 73.04 110.702 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.7 tt -138.58 -35.24 0.6 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.97 0.414 . . . . 73.5 110.291 -177.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -132.27 -174.28 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.965 0.412 . . . . 75.41 110.921 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.24 41.08 2.75 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.074 -0.584 . . . . 61.33 112.324 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -77.63 -16.72 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 122.041 0.924 . . . . 71.54 109.319 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.471 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 15.4 m-70 -93.34 15.86 14.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.156 -0.929 . . . . 72.21 110.603 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.94 -39.32 68.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.739 -0.664 . . . . 74.2 111.553 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -96.18 -0.98 49.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.115 0.483 . . . . 75.01 111.159 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.19 121.93 27.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.074 0.464 . . . . 73.3 110.603 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.6 122.43 27.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.453 -0.794 . . . . 71.11 110.898 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.5 mm -85.66 112.79 22.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.395 -0.965 . . . . 72.2 108.395 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.9 mt -92.43 130.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.073 0.463 . . . . 73.54 111.843 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -85.45 113.33 21.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.354 -0.839 . . . . 74.21 109.928 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.408 HD11 ' HB ' ' A' ' 60' ' ' THR . 91.2 mt -86.16 -42.09 14.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.375 -0.375 . . . . 73.4 110.41 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -117.68 132.26 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 75.13 109.707 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -97.21 109.47 22.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.128 0.489 . . . . 62.11 110.372 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.67 -51.62 11.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.696 -0.683 . . . . 73.44 109.544 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -83.74 36.75 0.56 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.58 -0.736 . . . . 73.12 110.348 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -68.63 98.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 74.22 111.491 -174.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.8 t60 . . . . . 0 C--O 1.243 0.754 0 CA-C-N 115.086 -0.961 . . . . 74.3 108.955 173.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.454 0.169 . . . . 63.44 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.559 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 2.7 m-20 -98.22 106.87 19.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.855 -0.794 . . . . 74.13 108.855 177.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.553 ' O ' HG21 ' A' ' 7' ' ' VAL . 13.3 p -59.94 -32.58 50.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 123.379 0.424 . . . . 74.21 111.483 -171.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.08 -44.14 94.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 62.01 110.471 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -79.62 -27.05 41.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 72.41 111.157 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 43.1 mt-10 -65.64 -29.8 70.42 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.864 -0.421 . . . . 72.15 109.864 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.586 HG13 ' HB1' ' A' ' 53' ' ' ALA . 95.8 t -65.32 -42.03 92.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.135 -0.484 . . . . 75.23 110.205 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -66.55 -31.87 72.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.305 0.574 . . . . 72.1 110.298 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 42' ' ' LEU . 67.2 tp -69.06 -43.55 74.42 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.519 -0.548 . . . . 74.51 109.519 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.45 HD21 HG21 ' A' ' 49' ' ' THR . 56.4 tp -56.76 -47.12 80.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.302 -0.863 . . . . 75.34 111.172 178.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.502 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 18.9 m -66.43 -34.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 64.53 111.101 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -41.86 98.11 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.77 -0.456 . . . . 74.0 109.77 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 41.9 mm-40 -61.15 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.858 -0.61 . . . . 75.32 110.162 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -68.5 -34.32 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 72.51 110.836 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.726 ' HA ' HD13 ' A' ' 26' ' ' LEU . 20.9 m-70 -60.15 -36.11 76.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.156 0.503 . . . . 73.35 110.478 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 16' ' ' ARG . 24.6 ttm105 -86.67 -47.42 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.776 . . . . 72.14 111.855 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.6 -22.81 22.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 72.34 111.775 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.6 164.38 29.11 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.695 -0.764 . . . . 70.23 112.722 -174.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -121.83 150.23 42.21 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.89 -0.411 . . . . 71.25 109.89 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -78.07 123.77 27.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.219 0.533 . . . . 74.31 111.051 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.06 -172.22 1.03 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.19 -0.914 . . . . 73.52 111.072 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -29.2 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 75.51 111.903 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -86.82 -13.48 44.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.355 0.597 . . . . 74.33 110.955 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.7 6.54 59.45 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.617 -0.802 . . . . 72.11 112.194 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -83.69 130.06 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.995 -0.372 . . . . 74.43 109.995 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.726 HD13 ' HA ' ' A' ' 15' ' ' HIS . 44.7 mt -75.98 127.15 32.38 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.066 -0.515 . . . . 74.13 110.793 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.4 p -129.66 145.05 51.54 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 116.147 -0.479 . . . . 73.32 110.314 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.88 138.41 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.607 -0.724 . . . . 75.24 109.561 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.566 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 91.8 mttt -67.65 134.0 50.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.097 0.475 . . . . 73.24 110.577 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' CE1' HD12 ' A' ' 50' ' ' LEU . 28.6 t80 -60.0 -26.37 66.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.288 -0.869 . . . . 62.44 110.597 -178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.52 -36.61 93.42 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.588 -0.815 . . . . 75.33 112.031 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -76.45 -47.81 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.894 0.378 . . . . 71.51 110.376 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.99 -46.08 89.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.749 -0.659 . . . . 65.42 110.286 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.431 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 86.5 t80 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 74.02 110.41 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -59.88 -46.69 88.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 74.41 111.053 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.03 -38.75 82.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 74.23 111.212 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.2 -31.15 70.47 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.769 -0.372 . . . . 70.52 110.653 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 26.8 mmmt -56.48 -24.72 47.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.024 -0.422 . . . . 74.55 111.329 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -88.48 -22.85 23.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.244 0.461 . . . . 64.54 112.244 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.53 -34.6 3.58 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.679 0.622 . . . . 74.23 112.679 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.3 m120 48.01 70.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.578 0.704 . . . . 75.44 110.513 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.557 ' HB3' HD22 ' A' ' 9' ' ' LEU . 92.1 mt -80.79 -29.72 36.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.099 -0.955 . . . . 74.03 108.873 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 10' ' ' LEU . 21.6 m-85 -108.0 124.85 50.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.605 -1.18 . . . . 75.41 109.196 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.3 -37.91 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 72.24 109.568 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.43 86.61 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.596 -0.729 . . . . 73.14 109.561 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.414 HD13 ' CD2' ' A' ' 43' ' ' PHE . 44.5 tp -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 70.43 111.519 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.437 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 62.5 t -65.94 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 73.2 109.95 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.1 -41.87 52.91 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.799 -0.637 . . . . 73.33 111.926 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.45 HG21 HD21 ' A' ' 10' ' ' LEU . 7.0 m -59.32 -38.66 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.938 0.399 . . . . 65.42 110.465 176.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.505 HD12 ' CE1' ' A' ' 30' ' ' PHE . 90.0 mt -61.49 -41.9 97.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.931 -0.577 . . . . 73.24 110.832 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HE3' ' HG3' ' A' ' 64' ' ' GLU . 33.7 mmtm -56.2 -48.87 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 74.22 110.634 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.97 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.832 -0.622 . . . . 75.42 111.418 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.586 ' HB1' HG13 ' A' ' 7' ' ' VAL . . . -71.47 -38.29 71.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.828 -0.624 . . . . 74.32 111.648 -175.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.588 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 84.6 tttt -63.14 -42.8 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 73.4 110.242 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 9.0 mmt85 -77.78 -14.84 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 71.32 111.253 -177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.576 ' HB2' HG12 ' A' ' 58' ' ' ILE . 90.4 mtt180 -91.95 4.02 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 72.43 110.942 173.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.16 25.04 15.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.117 0.485 . . . . 75.0 111.045 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.576 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.1 mm -78.42 -44.18 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.973 -0.751 . . . . 74.4 108.973 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.507 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.5 m -136.04 163.66 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.294 -0.867 . . . . 73.33 109.797 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.502 ' HB ' HD13 ' A' ' 79' ' ' LEU . 11.1 t -142.54 147.99 36.84 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.846 0.355 . . . . 72.51 110.071 174.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.588 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 14.2 p90 -159.05 145.93 12.81 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.555 -0.535 . . . . 73.13 109.555 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.442 ' HD2' HG12 ' A' ' 74' ' ' VAL . 32.1 Cg_exo -59.3 139.75 91.42 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.877 2.385 . . . . 73.4 112.448 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.28 -164.53 53.56 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.866 -0.683 . . . . 74.11 112.148 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.521 ' HG3' ' HE3' ' A' ' 51' ' ' LYS . 8.7 tp10 -147.71 -34.5 0.24 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.018 0.437 . . . . 73.32 110.372 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 tp -109.75 90.93 3.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.13 0.49 . . . . 74.4 110.653 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.425 HD13 HG11 ' A' ' 74' ' ' VAL . 91.0 mt -104.35 85.66 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.012 -0.54 . . . . 74.22 110.631 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.4 mt -105.28 -44.56 4.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.105 -0.498 . . . . 75.14 110.877 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -74.41 168.13 20.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.173 -0.467 . . . . 73.1 111.158 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.66 14.63 5.47 Favored Glycine 0 CA--C 1.52 0.382 0 CA-C-N 116.038 -0.528 . . . . 61.34 114.057 -171.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.21 -4.28 9.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.922 0.868 . . . . 75.35 109.829 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.429 ' HA ' HG22 ' A' ' 74' ' ' VAL . 1.4 p-80 -83.47 2.35 37.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.499 -0.773 . . . . 63.44 111.745 -174.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 8.7 p-10 -71.13 -31.45 67.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.219 0.451 . . . . 75.04 112.219 -169.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.566 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 17.6 t70 -94.36 1.85 55.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.086 0.469 . . . . 74.5 110.889 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.442 HG12 ' HD2' ' A' ' 62' ' ' PRO . 21.1 t -75.11 114.74 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 73.41 110.577 -177.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.69 117.75 21.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.62 0.247 . . . . 75.41 110.412 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.12 108.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.885 -1.154 . . . . 71.25 107.885 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.7 mt -96.02 124.77 48.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.248 0.547 . . . . 75.43 111.444 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.97 111.17 16.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.216 -0.902 . . . . 75.2 109.595 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.502 HD13 ' HB ' ' A' ' 60' ' ' THR . 78.0 mt -86.46 -38.67 17.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.93 -0.577 . . . . 75.4 110.499 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -102.67 131.22 49.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.149 -0.478 . . . . 72.14 109.735 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.583 ' OD2' ' HA ' ' A' ' 84' ' ' HIS . 60.5 t0 -115.25 103.46 10.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.94 -0.763 . . . . 73.34 108.94 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.7 tp -79.62 -57.29 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.822 -0.627 . . . . 75.34 111.257 -173.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.5 -26.2 41.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.495 -0.775 . . . . 71.23 110.908 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.583 ' HA ' ' OD2' ' A' ' 81' ' ' ASP . 91.6 m-70 59.12 76.48 0.35 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.383 0.611 . . . . 72.41 110.244 -174.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--O 1.242 0.689 0 CA-C-N 115.053 -0.976 . . . . 73.14 109.606 -173.416 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.9 mtm . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.862 0.363 . . . . 72.12 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.543 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 16.4 m120 -95.86 127.06 41.56 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.223 -1.028 . . . . 65.51 108.223 173.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.598 ' O ' HG22 ' A' ' 7' ' ' VAL . 11.2 p -53.92 -34.45 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 111.62 0.23 . . . . 75.2 111.62 -172.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.45 -41.06 88.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.168 0.508 . . . . 72.55 110.659 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -79.75 -26.64 40.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.885 -0.598 . . . . 72.41 110.123 -179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.543 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 5.3 mm-40 -66.81 -29.71 69.72 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.786 -0.45 . . . . 74.11 109.786 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 3' ' ' VAL . 46.2 t -64.72 -37.61 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.232 0.539 . . . . 75.21 109.792 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -64.35 -37.75 88.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.898 -0.778 . . . . 65.35 108.898 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.408 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 60.0 tp -63.64 -39.25 93.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.73 -0.668 . . . . 74.41 109.558 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 50' ' ' LEU . 61.0 tp -60.68 -50.64 72.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.389 -0.823 . . . . 74.22 111.122 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.484 HG22 ' HA ' ' A' ' 8' ' ' ASN . 16.5 m -66.15 -29.55 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 74.15 111.304 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 46.0 mt-10 -61.97 -43.18 99.37 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-O 120.823 0.345 . . . . 62.54 110.217 174.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.12 -35.01 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 71.03 111.012 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.462 HD11 ' HA ' ' A' ' 11' ' ' VAL . 85.8 mt -63.02 -37.02 78.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.312 0.577 . . . . 74.25 109.904 174.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -70.58 -30.41 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.797 -0.638 . . . . 74.01 111.426 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -84.67 -44.5 13.36 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.101 0.408 . . . . 73.52 112.101 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.524 HD11 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -105.06 -2.61 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.693 0.256 . . . . 73.22 111.693 -175.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.01 -176.82 24.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.513 -0.851 . . . . 70.44 112.89 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -144.32 156.6 44.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.608 -0.515 . . . . 54.55 109.608 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -83.9 135.99 34.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.322 0.582 . . . . 73.13 111.41 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -87.93 -176.04 5.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.231 -0.895 . . . . 72.41 110.242 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -14.34 62.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.396 . . . . 74.35 112.068 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -87.65 -13.63 42.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.967 0.413 . . . . 71.13 110.343 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.51 3.79 61.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 74.13 111.96 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -96.97 148.44 22.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.765 0.317 . . . . 72.04 110.54 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.76 146.64 47.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.168 0.509 . . . . 74.31 110.357 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -143.23 142.09 31.29 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.875 -0.787 . . . . 70.02 108.875 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG11 HD11 ' A' ' 33' ' ' LEU . 7.1 p -139.87 142.23 32.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 110.15 -0.315 . . . . 73.34 110.15 -177.413 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.578 ' HB2' HG21 ' A' ' 32' ' ' VAL . 74.9 mmtt -72.46 131.02 42.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.016 0.436 . . . . 73.33 110.51 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.681 ' HD2' ' HB3' ' A' ' 71' ' ' HIS . 65.5 t80 -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.23 -0.896 . . . . 71.02 110.333 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.65 ' HA3' ' HA ' ' A' ' 72' ' ' ASP . . . -58.82 -36.22 86.02 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.569 -0.741 . . . . 62.44 112.555 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.578 HG21 ' HB2' ' A' ' 29' ' ' LYS . 58.3 t -71.1 -48.03 57.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.818 -0.438 . . . . 74.42 109.818 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.524 HD23 HD11 ' A' ' 17' ' ' LEU . 20.9 mt -62.44 -47.61 83.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.604 -0.725 . . . . 75.11 111.272 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.87 -40.05 94.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.304 -0.407 . . . . 74.42 110.884 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -69.38 -51.71 34.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.134 -0.484 . . . . 72.5 111.344 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.52 -37.55 80.12 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.795 0.331 . . . . 74.44 110.513 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.29 -49.08 75.42 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.091 -0.504 . . . . 75.25 111.348 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 34.4 mmtm -69.73 -13.92 62.53 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.615 -0.434 . . . . 73.54 111.248 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 t -87.9 -25.19 23.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.917 0.389 . . . . 75.43 110.911 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.32 -30.68 9.0 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.916 0.389 . . . . 75.24 111.797 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.6 m120 69.94 51.36 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.171 0.988 . . . . 72.33 110.892 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -82.28 -48.71 10.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.249 -0.887 . . . . 74.25 109.902 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -118.14 98.24 6.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.59 -0.732 . . . . 74.1 109.318 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.12 -46.48 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.505 -0.554 . . . . 75.51 109.505 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.16 84.1 1.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.915 -0.584 . . . . 70.12 110.077 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.64 -39.6 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.625 . . . . 74.2 110.377 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.581 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 51.3 t -63.43 -39.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.777 -0.647 . . . . 74.21 110.627 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.45 86.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.774 -0.727 . . . . 74.51 112.163 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -58.72 -38.66 78.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 71.15 110.876 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.683 HD21 HD22 ' A' ' 10' ' ' LEU . 88.5 mt -64.84 -44.52 89.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.082 -0.508 . . . . 75.32 111.283 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.581 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 14.2 mmmm -63.36 -39.48 94.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.618 0.247 . . . . 74.02 110.428 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -51.78 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.412 0.625 . . . . 70.35 110.509 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -73.62 -27.7 61.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.457 -0.792 . . . . 72.12 111.607 -177.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 59.8 tttm -72.3 -34.29 68.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.85 0.357 . . . . 74.14 110.215 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.96 -27.45 60.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 74.41 110.459 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -89.11 1.91 54.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.387 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 51.64 37.14 19.15 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 115.445 -0.798 . . . . 75.25 111.89 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.53 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 63.0 mt -82.52 -37.26 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 114.792 -1.094 . . . . 63.4 108.412 171.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -131.41 160.9 42.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.04 -0.982 . . . . 73.52 109.606 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.2 t -145.31 147.25 32.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 74.43 110.271 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 12.9 p90 -160.66 155.65 20.79 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.637 -0.875 . . . . 75.52 108.637 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.01 139.01 71.08 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.351 2.034 . . . . 72.1 113.221 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.67 -165.04 29.63 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 115.319 -0.855 . . . . 70.12 113.722 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -137.97 -23.87 1.02 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.162 0.506 . . . . 74.22 109.879 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -108.18 75.86 1.01 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.99 -0.55 . . . . 74.32 110.382 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.45 110.7 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.135 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.4 mt -86.17 164.63 17.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.298 -0.41 . . . . 75.21 110.739 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.439 ' HA ' ' CE1' ' A' ' 71' ' ' HIS . 25.3 tt0 -62.53 135.67 57.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 71.42 111.412 -176.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.13 -41.64 2.17 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.857 -0.687 . . . . 72.52 112.804 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.634 ' O ' HG21 ' A' ' 74' ' ' VAL . 34.9 m -97.03 -1.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 112.337 0.495 . . . . 73.13 112.337 -175.186 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.681 ' HB3' ' HD2' ' A' ' 30' ' ' PHE . 39.8 m80 -65.35 -44.02 89.02 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.009 0.374 . . . . 75.32 112.009 -172.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.65 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 20.9 t70 -60.07 -38.51 83.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.047 0.758 . . . . 75.12 113.047 -168.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.405 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 23.5 t0 -97.3 6.67 47.97 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.32 -0.552 . . . . 74.54 111.668 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.634 HG21 ' O ' ' A' ' 70' ' ' VAL . 39.8 t -75.24 116.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 70.01 110.271 176.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.28 116.39 22.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 63.03 110.708 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.8 mm -86.26 108.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.975 -1.12 . . . . 73.1 107.975 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -94.01 128.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 74.41 111.028 -173.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.2 tp -85.3 110.55 19.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.813 -0.631 . . . . 71.33 109.963 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.92 -42.39 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.252 0.549 . . . . 75.51 110.184 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.51 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 8.0 tt0 -108.7 130.94 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.391 -0.822 . . . . 75.02 108.983 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -115.4 109.43 17.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.131 0.491 . . . . 75.33 110.341 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -95.64 -39.45 9.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.551 -0.75 . . . . 74.52 109.659 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.469 ' HG2' ' HG2' ' A' ' 12' ' ' GLU . 11.7 tp10 -83.08 82.15 8.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.653 -0.703 . . . . 73.44 109.371 -177.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -141.07 1.97 1.68 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.681 -0.69 . . . . 75.21 110.722 -173.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.458 -0.782 . . . . 74.14 110.301 -178.229 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.753 0.311 . . . . 73.41 110.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.531 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 5.6 m-20 -100.98 116.1 32.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.414 -0.587 . . . . 75.5 109.414 177.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.8 p -56.01 -35.31 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 112.988 0.736 . . . . 74.11 112.988 -169.037 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.58 -36.8 83.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.893 0.378 . . . . 70.42 110.632 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -67.98 -40.01 83.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 74.3 110.463 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 4.5 mm-40 -57.09 -42.28 80.42 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.458 0.474 . . . . 75.35 110.201 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 3' ' ' VAL . 94.0 t -60.07 -47.17 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 115.994 -0.548 . . . . 72.45 111.419 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.51 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.7 t30 -70.56 -37.55 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 73.03 110.103 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.749 HD21 ' HB3' ' A' ' 42' ' ' LEU . 66.3 tp -60.07 -40.35 89.2 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.433 -0.58 . . . . 74.42 109.433 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.603 HD22 HG23 ' A' ' 49' ' ' THR . 53.3 tp -57.85 -51.48 69.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.451 -0.795 . . . . 74.24 110.946 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.594 HG12 HD22 ' A' ' 82' ' ' LEU . 19.6 m -66.42 -30.19 49.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.421 -0.354 . . . . 74.32 111.329 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 43.5 mt-10 -67.8 -45.15 75.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.926 0.393 . . . . 73.22 110.216 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.455 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 30.6 mm-40 -64.83 -37.77 88.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.997 -0.547 . . . . 73.44 111.205 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 10' ' ' LEU . 77.6 mt -63.82 -33.65 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 74.31 110.11 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -63.78 -39.88 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 73.42 111.637 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.455 ' HD3' ' OE1' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -87.24 -36.62 17.85 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.913 0.338 . . . . 74.24 111.913 -177.002 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.5 tp -93.43 -18.96 21.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.074 0.398 . . . . 75.15 112.074 -170.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.05 -171.56 32.57 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.478 -0.868 . . . . 75.22 113.151 -174.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -143.49 155.69 44.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.628 -0.878 . . . . 74.41 108.628 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -83.57 134.97 34.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.437 0.637 . . . . 64.32 111.481 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.498 HD22 ' HB2' ' A' ' 27' ' ' SER . 92.2 m-20 -81.26 178.0 8.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.091 -0.959 . . . . 64.33 110.324 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.27 -13.56 62.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.228 0.537 . . . . 73.44 110.254 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.61 -18.32 54.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.448 -0.796 . . . . 71.22 109.485 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.46 65.41 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.792 -0.64 . . . . 73.13 112.253 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 55.5 mttp -98.88 151.76 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.769 -0.253 . . . . 74.13 111.039 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.52 146.48 46.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 62.3 110.718 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.517 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 30.6 t -144.25 152.5 40.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.777 -0.453 . . . . 70.03 109.777 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.84 141.65 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.952 -0.299 . . . . 61.51 111.064 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 3.1 mmmp? -62.28 136.55 57.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.562 0.22 . . . . 72.31 110.786 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.28 -42.59 77.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 75.21 110.502 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.471 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -62.54 -35.55 91.94 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.734 -0.667 . . . . 71.4 112.987 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 29' ' ' LYS . 76.9 t -69.45 -47.8 70.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.907 0.384 . . . . 73.31 110.39 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.3 tt -62.36 -45.76 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 64.54 109.725 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.548 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 54.3 t80 -60.88 -45.13 95.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 75.21 110.663 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -58.87 -50.8 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 75.32 111.653 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.91 -38.41 79.55 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.094 -0.336 . . . . 75.53 110.094 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.15 -49.79 70.92 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.4 -0.364 . . . . 64.42 110.848 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 28.2 mtpp -57.1 -14.03 3.5 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.874 0.694 . . . . 73.24 112.874 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -65.59 -37.0 85.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 74.12 110.145 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.85 -17.82 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 45.14 111.087 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.463 HD21 ' HA ' ' A' ' 41' ' ' ASN . 2.0 m120 53.32 68.99 0.75 Allowed 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.916 0.865 . . . . 73.1 109.81 -170.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.749 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.1 mt -80.39 -35.76 34.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.422 -1.263 . . . . 73.33 109.515 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -97.8 114.54 26.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.441 -0.799 . . . . 74.41 109.764 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.93 -44.59 91.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 73.3 109.857 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.7 95.2 3.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.302 -0.863 . . . . 64.25 109.776 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 54.4 tp -57.65 -37.83 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 72.45 111.305 -176.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.06 -42.59 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 63.13 110.692 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.23 -42.32 94.29 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.156 -0.545 . . . . 72.12 111.902 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.603 HG23 HD22 ' A' ' 10' ' ' LEU . 8.8 m -57.24 -40.93 78.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.931 0.396 . . . . 71.11 110.728 175.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.7 mt -65.02 -45.6 84.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.003 -0.544 . . . . 75.3 110.491 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.402 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 24.9 mmmt -53.69 -45.72 70.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.04 -0.527 . . . . 73.23 111.013 177.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.01 73.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.715 -0.675 . . . . 54.22 111.474 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -26.93 61.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.077 -0.51 . . . . 73.14 111.734 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 63.2 tttm -70.36 -38.75 74.85 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 74.21 110.458 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -72.77 -26.59 61.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.75 0.309 . . . . 63.41 110.925 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.07 3.03 40.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 75.01 110.489 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 58.91 28.87 18.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.639 -0.71 . . . . 71.52 111.452 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.656 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.9 mt -85.2 -36.54 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.35 -0.841 . . . . 74.53 109.843 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.53 161.37 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.189 -0.459 . . . . 71.04 110.225 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.645 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.1 t -141.93 147.67 37.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.15 0.5 . . . . 73.35 110.503 175.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.446 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 5.0 p90 -161.77 140.91 7.42 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.569 -0.901 . . . . 71.4 108.569 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.72 ' HD2' HG12 ' A' ' 74' ' ' VAL . 73.9 Cg_exo -49.3 138.56 29.57 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.802 2.334 . . . . 74.41 112.835 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.44 -163.26 54.22 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.891 -0.671 . . . . 64.4 111.511 -175.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -155.85 13.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.73 0.776 . . . . 74.13 109.798 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.5 tp -157.56 130.16 7.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.166 -0.924 . . . . 75.43 110.027 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 pp -154.75 132.47 11.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.351 -0.386 . . . . 73.42 110.14 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 tt -134.6 -30.63 1.11 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.085 -0.507 . . . . 75.15 110.113 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -33.31 72.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 75.22 111.418 -175.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.73 -0.3 57.88 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.606 -0.807 . . . . 53.41 112.371 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -76.51 -1.28 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 74.41 111.82 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.67 16.43 23.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.225 -0.443 . . . . 74.34 111.697 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.471 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 3.7 t70 -54.78 -32.52 60.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.114 0.483 . . . . 75.34 111.502 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.0 p-10 -85.64 8.5 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 75.13 111.207 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.72 HG12 ' HD2' ' A' ' 62' ' ' PRO . 40.6 t -82.9 125.65 40.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.177 0.513 . . . . 73.11 109.902 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.517 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 33.9 m-20 -91.09 126.17 36.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.583 -0.735 . . . . 74.55 109.99 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -85.77 108.54 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.77 -0.826 . . . . 75.34 108.77 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -94.41 129.73 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.231 -0.44 . . . . 65.31 110.976 -174.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 27.5 tp -81.87 110.77 17.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.645 -0.707 . . . . 64.22 109.557 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.645 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.6 mt -89.77 -29.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.292 -0.413 . . . . 74.54 110.966 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.656 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -128.55 131.9 48.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.352 -0.61 . . . . 75.04 109.352 -175.804 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -115.47 98.86 6.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.238 0.542 . . . . 75.24 111.598 -174.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.761 ' H ' HD23 ' A' ' 82' ' ' LEU . 2.3 pt? -98.35 -10.06 24.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.588 -0.733 . . . . 71.24 110.004 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.27 79.73 9.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.807 -0.633 . . . . 73.12 109.519 -176.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -107.51 133.47 51.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.661 -0.7 . . . . 73.24 110.975 -173.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.711 -0.662 . . . . 72.5 109.275 177.487 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.714 0.292 . . . . 73.43 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -71.62 113.13 8.33 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.222 -0.444 . . . . 75.25 111.18 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.582 ' O ' HG21 ' A' ' 7' ' ' VAL . 14.0 p -63.88 -26.17 39.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.796 -0.638 . . . . 64.45 109.58 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.33 -38.3 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.753 -0.658 . . . . 75.53 110.386 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -72.71 -33.62 66.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 72.23 109.654 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.33 -38.43 91.02 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.068 -0.515 . . . . 71.22 110.143 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.582 HG21 ' O ' ' A' ' 3' ' ' VAL . 57.5 t -63.41 -42.12 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 73.43 110.939 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.22 -31.78 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.348 0.594 . . . . 75.4 110.154 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 42' ' ' LEU . 63.8 tp -71.0 -39.43 72.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.842 -0.617 . . . . 73.43 109.603 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.686 HD22 HG23 ' A' ' 49' ' ' THR . 58.7 tp -57.56 -51.8 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.529 -0.76 . . . . 74.41 110.548 178.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.553 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 27.8 m -61.13 -35.35 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 73.14 110.745 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -45.54 86.25 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.94 0.4 . . . . 74.01 110.218 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -64.39 -30.86 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 70.21 111.245 179.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 10' ' ' LEU . 78.2 mt -69.0 -34.12 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.829 0.347 . . . . 72.34 110.116 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 33.5 m-70 -70.63 -34.03 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.958 0.409 . . . . 71.53 110.601 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -81.36 -49.21 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.656 0.613 . . . . 73.4 112.656 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 88.9 mt -101.27 -12.05 19.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.787 0.327 . . . . 73.2 111.141 -174.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.44 159.81 26.36 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.612 -0.804 . . . . 74.44 112.924 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -120.64 157.41 29.63 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.022 -1.103 . . . . 65.43 108.022 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -76.41 135.99 39.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.245 1.021 . . . . 75.42 111.833 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.471 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 9.6 t-20 -72.61 -177.67 2.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.118 -1.855 . . . . 63.42 110.416 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.29 -24.79 59.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.768 0.794 . . . . 72.42 109.256 173.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -80.47 -17.12 52.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.526 -1.216 . . . . 65.23 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.76 2.25 61.41 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.841 -0.695 . . . . 71.34 111.932 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 62.5 mttp -88.96 141.42 28.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.615 -0.292 . . . . 73.41 110.561 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' HB3' HG21 ' A' ' 14' ' ' ILE . 4.0 mm? -66.33 136.44 55.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.019 -0.363 . . . . 73.41 110.019 175.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 m -143.31 142.03 31.18 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.781 0.324 . . . . 74.14 110.365 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.75 137.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.146 -0.479 . . . . 62.01 109.799 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HZ3' ' CG ' ' A' ' 75' ' ' ASP . 67.0 mttm -71.99 137.27 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.88 -0.328 . . . . 73.24 110.211 179.295 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.45 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.2 t80 -52.64 -37.52 58.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 75.0 111.202 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.2 95.11 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.13 -0.557 . . . . 62.02 112.81 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.77 -44.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 75.5 110.421 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -63.06 -46.31 88.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 74.13 110.113 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.575 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 52.3 t80 -64.23 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 70.23 110.284 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -57.19 -48.09 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 73.12 110.949 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -36.82 76.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.882 -0.599 . . . . 74.15 110.508 -175.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.54 -31.62 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.14 110.896 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 57.1 mtpt -66.17 -26.64 67.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.369 . . . . 60.24 110.706 176.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m -87.84 -47.35 8.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 73.03 111.144 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.14 -30.07 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.185 0.439 . . . . 61.32 112.185 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 m120 61.55 57.64 2.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.38 0.609 . . . . 64.4 110.405 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.804 ' HB3' HD22 ' A' ' 9' ' ' LEU . 97.0 mt -82.3 -46.78 13.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 75.05 111.31 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' CD2' HD12 ' A' ' 46' ' ' LEU . 70.4 m-85 -95.28 123.06 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 74.0 110.856 -173.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -71.85 -34.24 69.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.174 -0.466 . . . . 72.14 109.783 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.78 84.35 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 73.42 110.332 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.5 HD22 ' HD1' ' A' ' 34' ' ' PHE . 46.3 tp -61.7 -41.74 98.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.739 0.304 . . . . 73.03 111.424 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.08 -36.24 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 74.3 110.265 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -38.0 76.49 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.971 -0.633 . . . . 43.34 111.64 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.686 HG23 HD22 ' A' ' 10' ' ' LEU . 6.6 m -58.56 -45.63 88.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.024 0.44 . . . . 64.54 110.183 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.31 -51.32 69.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.563 -0.744 . . . . 75.13 110.811 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.448 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 26.8 mmmt -56.26 -48.34 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 75.13 111.22 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.52 ' O ' ' HB2' ' A' ' 56' ' ' ARG . . . -57.58 -53.6 56.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.65 . . . . 72.31 111.404 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.499 ' HB1' HG12 ' A' ' 7' ' ' VAL . . . -68.3 -38.43 81.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.088 -0.506 . . . . 74.4 111.928 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.516 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 80.9 tttt -63.35 -46.74 85.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.958 0.408 . . . . 75.42 110.314 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 17.9 mmt180 -76.78 -15.21 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.08 -0.509 . . . . 74.42 111.365 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.63 ' HD3' HD12 ' A' ' 58' ' ' ILE . 11.9 ttt180 -90.25 1.69 56.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.269 -0.423 . . . . 74.14 110.165 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.04 28.34 12.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.26 -0.882 . . . . 72.35 111.244 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.752 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 83.6 mt -91.92 -36.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.231 -0.895 . . . . 71.41 110.229 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.516 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 m -137.52 163.19 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.27 -0.423 . . . . 65.21 109.876 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.67 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.2 t -140.11 146.5 38.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.85 -0.426 . . . . 64.13 109.85 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -166.87 147.42 5.07 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.566 -0.743 . . . . 74.11 109.409 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.36 140.2 93.57 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.538 2.159 . . . . 74.52 111.683 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.74 142.44 8.59 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.99 -0.624 . . . . 73.22 112.421 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -103.82 -26.43 12.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.439 0.638 . . . . 72.01 109.311 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -146.61 111.71 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.105 -1.072 . . . . 71.54 108.105 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.515 HD23 ' CD2' ' A' ' 71' ' ' HIS . 4.0 mp -120.71 176.51 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.122 0.487 . . . . 63.34 111.278 -173.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.635 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.4 pt? -109.47 -154.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.221 -0.9 . . . . 75.13 110.039 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -87.65 -72.66 0.51 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.541 -0.3 . . . . 71.32 111.14 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.76 -46.16 39.42 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 115.158 0.823 . . . . 74.31 115.158 -169.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 t -82.23 -7.99 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.198 0.523 . . . . 74.24 111.064 -174.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.515 ' CD2' HD23 ' A' ' 66' ' ' LEU . 16.7 t-160 -106.06 -16.33 14.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.479 -0.328 . . . . 73.32 111.313 -173.442 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.81 -38.36 78.44 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.292 0.479 . . . . 72.13 112.292 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -91.75 1.91 56.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 71.52 111.092 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.34 125.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.148 -0.478 . . . . 74.53 110.608 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' CG ' ' HZ3' ' A' ' 29' ' ' LYS . 8.6 m-20 -84.28 120.14 25.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.438 -0.801 . . . . 75.0 110.359 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.44 116.9 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.858 -0.793 . . . . 74.33 108.858 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.47 128.82 52.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.82 0.343 . . . . 75.03 111.274 -173.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -80.35 122.51 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 64.31 110.364 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.67 HD11 ' HB ' ' A' ' 60' ' ' THR . 92.3 mt -99.4 -36.62 9.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 74.22 110.573 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.752 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 6.0 tt0 -127.9 133.54 49.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.822 -0.626 . . . . 73.11 109.768 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.404 ' OD2' ' HA ' ' A' ' 84' ' ' HIS . 41.3 t0 -96.79 96.1 8.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.32 -0.622 . . . . 73.43 109.32 177.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.14 -65.74 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 75.14 110.8 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.51 -64.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.593 -0.73 . . . . 72.13 110.289 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.404 ' HA ' ' OD2' ' A' ' 81' ' ' ASP . 25.7 t-80 65.95 150.1 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.674 0.609 . . . . 75.23 111.017 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 p80 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.959 -0.543 . . . . 75.52 110.11 176.33 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.487 ' H1 ' ' CD ' ' A' ' 6' ' ' GLU . 65.1 mtt . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.678 0.275 . . . . 75.11 110.768 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 11.5 t-20 -71.12 115.34 10.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.433 -0.58 . . . . 73.41 109.433 174.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.538 ' O ' HG21 ' A' ' 7' ' ' VAL . 8.6 p -55.5 -33.36 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.704 0.631 . . . . 73.12 112.704 -170.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.492 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 14.4 m-20 -56.58 -48.39 77.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.43 0.633 . . . . 73.42 109.729 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.04 -37.2 78.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.212 -0.903 . . . . 75.52 110.776 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 4.7 mm-40 -58.31 -41.94 85.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 63.32 110.278 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.538 HG21 ' O ' ' A' ' 3' ' ' VAL . 61.2 t -62.69 -47.4 93.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 73.44 110.518 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -60.08 -41.92 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 70.21 110.023 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -62.12 -45.28 94.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.614 -0.721 . . . . 74.14 110.458 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 50' ' ' LEU . 56.1 tp -56.75 -47.74 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 73.32 110.122 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.964 HG12 ' HB3' ' A' ' 82' ' ' LEU . 66.4 t -59.5 -42.61 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.495 -0.775 . . . . 75.32 110.949 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 43.7 mt-10 -60.08 -49.5 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 75.34 110.963 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 58.9 mm-40 -61.22 -45.65 93.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 73.01 111.115 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG22 ' HB2' ' A' ' 78' ' ' LEU . 67.0 mt -63.91 -33.87 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 64.31 110.437 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.689 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.2 t-80 -67.32 -42.69 83.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.935 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.442 ' NH2' ' HB3' ' A' ' 12' ' ' GLU . 7.1 ptp85 -86.38 -38.12 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.261 0.467 . . . . 74.42 112.261 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -87.98 -10.79 49.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 71.43 111.21 -175.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.48 -175.29 26.11 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.736 -0.745 . . . . 65.03 112.801 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.4 t -145.47 148.84 33.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.802 -0.814 . . . . 63.02 108.802 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 63.2 mttm -80.84 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.313 0.578 . . . . 71.44 111.283 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -81.42 -170.74 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.962 -1.017 . . . . 71.3 110.951 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.52 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 71.32 111.819 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -84.49 -15.66 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 75.23 110.045 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.69 8.29 58.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.917 -0.659 . . . . 65.03 112.168 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 47.4 mmtm -98.63 147.04 25.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.041 0.448 . . . . 74.1 110.277 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.689 HD13 ' HA ' ' A' ' 15' ' ' HIS . 40.7 mt -80.08 144.93 32.71 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.742 -0.663 . . . . 75.02 109.984 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.0 m -143.29 142.25 31.28 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 110.148 -0.315 . . . . 74.25 110.148 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.578 HG11 HG23 ' A' ' 14' ' ' ILE . 8.0 p -146.53 137.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.011 -0.737 . . . . 74.35 109.011 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -77.12 144.14 38.66 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.534 -0.467 . . . . 72.25 110.751 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . 86.6 t80 -51.89 -42.05 62.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.134 -0.939 . . . . 75.2 111.759 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -33.83 87.76 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.237 -0.506 . . . . 55.3 112.869 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.61 -46.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 72.53 110.481 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.59 -43.26 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.629 . . . . 71.15 109.821 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -62.83 -30.41 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 74.21 111.196 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.01 -48.09 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.977 0.418 . . . . 74.24 110.684 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.41 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.51 -38.89 88.99 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.021 -0.536 . . . . 74.13 111.558 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 6.1 tmtt? -55.85 -40.29 72.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 75.34 110.428 -177.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.2 t -71.16 -41.9 69.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.036 -0.529 . . . . 74.01 111.861 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.88 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.028 0.381 . . . . 64.31 112.028 -173.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 10.2 m120 57.76 63.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.55 0.69 . . . . 74.04 109.88 -171.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.4 -48.56 12.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.088 -0.96 . . . . 72.34 109.24 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' CD2' HD12 ' A' ' 46' ' ' LEU . 33.6 m-85 -100.07 102.6 13.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.609 -0.723 . . . . 74.51 109.678 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.12 -40.32 76.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.429 0.633 . . . . 73.02 109.822 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.46 84.62 2.23 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.306 -0.861 . . . . 72.44 109.32 172.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 43' ' ' PHE . 34.7 tp -56.92 -37.81 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.727 -0.669 . . . . 75.24 110.777 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.2 p -63.61 -31.11 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 73.41 110.848 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.61 -45.83 43.08 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.914 -0.66 . . . . 61.43 111.687 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.46 HG23 HD23 ' A' ' 10' ' ' LEU . 5.5 m -58.07 -44.57 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 73.43 110.553 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.544 HD21 HD21 ' A' ' 10' ' ' LEU . 96.5 mt -60.47 -47.03 87.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.226 -0.443 . . . . 64.53 110.39 176.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.425 ' HE2' ' HB2' ' A' ' 51' ' ' LYS . 9.2 tppt? -53.99 -46.87 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.891 -0.595 . . . . 73.42 110.832 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.92 -53.49 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.114 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . . . -71.07 -32.91 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.913 -0.585 . . . . 74.35 111.61 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 87.0 tttt -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.0 0.428 . . . . 72.34 110.696 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -77.07 -13.66 59.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.131 -0.486 . . . . 64.15 110.935 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -93.07 -0.29 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 74.54 110.83 170.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 62.13 30.12 17.71 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.919 -0.582 . . . . 74.13 111.589 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.512 ' HB ' ' HB3' ' A' ' 53' ' ' ALA . 62.7 mt -85.61 -39.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.08 -0.711 . . . . 74.2 109.08 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.533 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 29.6 m -131.69 169.1 22.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.147 -0.933 . . . . 74.15 109.607 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -151.04 147.31 26.96 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.562 -0.533 . . . . 74.11 109.562 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 10.6 p90 -157.29 133.52 6.14 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.012 0.434 . . . . 74.12 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 16.2 Cg_exo -69.67 156.27 64.05 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.466 2.777 . . . . 62.41 112.587 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.48 -60.25 0.91 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.914 -0.66 . . . . 64.01 112.643 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 71.41 -56.42 0.63 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.596 0.758 . . . . 71.55 111.292 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.12 -52.13 38.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.404 . . . . 71.31 110.322 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.0 mt 67.5 167.28 0.24 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.216 -0.902 . . . . 62.54 112.478 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.408 ' HB2' ' CG2' ' A' ' 70' ' ' VAL . 79.8 mt -148.98 131.38 15.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.801 -1.09 . . . . 74.2 108.397 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -55.12 128.2 32.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.231 0.539 . . . . 73.23 111.94 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.18 -33.45 4.5 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.804 -0.635 . . . . 64.1 113.688 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.408 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 18.5 m -94.7 -19.56 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 117.391 0.596 . . . . 71.32 111.302 -170.185 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -117.25 14.53 14.82 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.536 -0.465 . . . . 60.13 111.828 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.449 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 1.1 m-20 -68.01 -14.6 63.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.493 0.663 . . . . 74.02 109.904 175.144 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.64 4.42 52.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.491 -0.777 . . . . 73.12 110.084 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -78.77 130.9 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 71.1 110.451 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.51 119.88 21.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.462 -0.79 . . . . 73.52 110.666 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mm -89.48 112.88 25.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.383 -0.969 . . . . 75.52 108.383 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.13 127.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.942 0.401 . . . . 74.32 111.195 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.635 HD23 HD11 ' A' ' 26' ' ' LEU . 44.6 tp -89.84 110.68 21.59 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.313 -0.625 . . . . 74.31 109.313 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.87 -42.24 18.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.006 -0.543 . . . . 71.42 110.541 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.409 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 44.0 mt-30 -104.2 131.1 51.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.827 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.92 81.54 6.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.157 -0.474 . . . . 74.33 109.795 175.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.964 ' HB3' HG12 ' A' ' 11' ' ' VAL . 45.4 tp -61.44 -44.4 97.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.407 -0.815 . . . . 74.11 110.365 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.524 ' HG2' ' H ' ' A' ' 85' ' ' HIS . 30.2 tt0 -66.85 119.82 12.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.633 -0.712 . . . . 73.45 109.163 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -82.05 8.71 9.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.695 -0.23 . . . . 72.52 111.119 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.524 ' H ' ' HG2' ' A' ' 83' ' ' GLU . 4.5 t-160 . . . . . 0 C--O 1.249 1.051 0 O-C-N 124.051 0.844 . . . . 73.13 111.076 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.741 ' HG3' ' H ' ' A' ' 2' ' ' ASN . 12.5 tpt . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.394 -0.965 . . . . 72.41 108.394 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.741 ' H ' ' HG3' ' A' ' 1' ' ' MET . 90.6 m-20 -71.29 108.54 4.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.701 -0.852 . . . . 74.12 108.701 173.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.565 ' O ' HG22 ' A' ' 7' ' ' VAL . 14.7 p -50.23 -34.74 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 113.846 1.054 . . . . 73.44 113.846 -160.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.49 -29.47 64.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.774 0.321 . . . . 74.34 111.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -80.43 -43.95 20.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.297 0.48 . . . . 74.42 112.297 -178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.51 ' OE1' ' HB3' ' A' ' 1' ' ' MET . 1.3 pm0 -63.07 -28.61 70.2 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 120.239 -0.584 . . . . 60.51 111.041 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.565 HG22 ' O ' ' A' ' 3' ' ' VAL . 97.0 t -62.18 -44.65 99.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 120.73 0.3 . . . . 75.23 110.397 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.38 -36.06 78.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.087 0.47 . . . . 73.13 110.237 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.655 HD22 ' HB3' ' A' ' 42' ' ' LEU . 63.9 tp -63.18 -43.71 97.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 73.43 110.036 176.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD23 HG21 ' A' ' 49' ' ' THR . 54.2 tp -57.64 -52.28 66.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.475 -0.784 . . . . 73.11 110.869 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 83' ' ' GLU . 27.0 m -67.15 -30.02 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 73.45 111.434 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.85 -40.35 75.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.944 -0.391 . . . . 70.53 109.944 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 53.0 mm-40 -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.47 -0.332 . . . . 73.14 111.055 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.6 mt -62.84 -34.35 65.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.004 0.43 . . . . 74.41 110.191 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -70.63 -32.01 69.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 75.34 111.147 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.534 ' HB3' HD12 ' A' ' 17' ' ' LEU . 25.1 ttm-85 -82.24 -48.57 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 75.55 111.589 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 16' ' ' ARG . 7.6 mp -91.92 -27.33 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 72.43 111.155 -175.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.412 ' CA ' ' HB ' ' A' ' 28' ' ' VAL . . . -82.41 171.76 51.82 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.975 -0.631 . . . . 72.14 112.994 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 t -134.9 157.17 47.55 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.204 -0.665 . . . . 71.31 109.204 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 mttp -77.13 134.27 38.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.307 0.575 . . . . 74.35 110.594 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -87.56 -174.45 4.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.959 -1.019 . . . . 74.32 110.264 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.4 62.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.389 -0.369 . . . . 74.13 111.719 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -89.33 -17.02 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 71.04 110.245 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 5.77 59.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.859 -0.686 . . . . 72.11 112.537 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 48.4 mttm -91.7 151.92 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.743 -0.466 . . . . 72.14 109.743 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.31 135.61 42.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 74.03 110.257 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.1 m -143.21 142.63 31.48 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 73.14 109.85 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' HB ' ' CA ' ' A' ' 18' ' ' GLY . 7.1 p -142.84 137.47 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.246 -0.434 . . . . 75.42 110.221 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.785 ' HD2' ' HA ' ' A' ' 73' ' ' ASP . 14.7 mtmt -62.59 126.07 26.07 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.772 0.32 . . . . 73.15 110.215 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.7 t80 -53.21 -38.9 63.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.569 -0.741 . . . . 73.33 110.895 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.28 66.68 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.991 -0.623 . . . . 71.22 112.901 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.45 -48.2 27.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 72.13 110.293 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -39.16 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 75.15 110.282 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 33.6 t80 -62.57 -38.18 89.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.609 -0.723 . . . . 74.21 110.616 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -71.28 -39.99 71.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 75.03 110.708 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.09 -48.29 79.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 72.21 110.534 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.83 -33.91 73.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 75.5 111.702 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.461 ' HE3' ' CE2' ' A' ' 34' ' ' PHE . 90.0 mttt -58.14 -25.72 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 72.25 111.645 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 t -87.63 -37.67 16.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.632 0.253 . . . . 73.33 111.097 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -32.93 12.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.422 0.527 . . . . 75.2 112.422 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.44 ' N ' HD21 ' A' ' 41' ' ' ASN . 0.9 OUTLIER 66.06 44.03 2.77 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.319 0.581 . . . . 71.42 110.794 -178.248 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.655 ' HB3' HD22 ' A' ' 9' ' ' LEU . 89.0 mt -80.6 -44.07 19.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.856 . . . . 75.35 110.159 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.18 95.76 8.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 74.33 109.655 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.2 -48.78 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.852 -0.613 . . . . 73.12 110.434 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.37 87.76 2.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.707 -0.679 . . . . 75.11 109.445 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.0 tp -57.93 -40.88 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 72.52 110.998 -175.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.544 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.2 p -61.53 -37.91 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.493 -0.321 . . . . 73.41 110.338 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.78 -41.85 87.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.031 -0.604 . . . . 63.11 111.796 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.512 HG21 HD23 ' A' ' 10' ' ' LEU . 17.2 m -62.03 -41.06 97.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.993 0.425 . . . . 75.22 110.419 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 HD13 ' HE1' ' A' ' 30' ' ' PHE . 94.8 mt -62.86 -47.48 83.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 74.12 110.609 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.544 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 30.7 mmmt -59.28 -41.07 88.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.408 -0.36 . . . . 75.34 110.703 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.48 88.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.392 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.47 53.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 72.53 111.129 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.448 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.5 tttt -68.0 -37.08 81.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.279 0.562 . . . . 74.43 109.691 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.27 -34.68 75.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.5 -0.773 . . . . 73.45 110.789 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.05 9.48 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 74.14 111.474 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 63.74 23.78 13.6 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.87 -0.605 . . . . 75.14 110.832 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.671 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.8 mt -85.43 -42.55 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.862 -0.608 . . . . 73.44 110.633 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.39 160.85 42.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.342 -0.39 . . . . 75.13 110.294 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.651 ' HB ' HD13 ' A' ' 79' ' ' LEU . 15.2 t -134.31 146.75 50.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.02 0.438 . . . . 74.11 110.317 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 11.8 p90 -164.1 134.78 3.34 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.542 -0.754 . . . . 75.54 109.293 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 5.4 Cg_exo -79.46 138.78 14.05 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.544 2.163 . . . . 75.32 111.705 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.73 118.6 0.03 OUTLIER Glycine 0 CA--C 1.52 0.395 0 C-N-CA 121.29 -0.481 . . . . 53.43 113.67 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.417 ' HG2' ' HD3' ' A' ' 51' ' ' LYS . 27.5 mp0 -82.15 -23.55 35.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.974 0.416 . . . . 71.12 110.265 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.6 127.42 32.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 73.12 110.578 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 pp -154.67 16.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.425 -0.352 . . . . 72.24 111.535 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.24 -23.73 61.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 73.51 111.145 -174.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -89.98 10.26 24.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.161 -0.472 . . . . 73.1 111.355 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.94 73.49 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.95 -0.643 . . . . 70.13 112.456 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 HG13 ' HD1' ' A' ' 71' ' ' HIS . 8.2 p -84.21 -2.64 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.6 0.714 . . . . 75.41 110.849 -177.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.539 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.0 m80 -107.17 11.05 29.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.107 -0.497 . . . . 73.44 112.035 -176.124 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.87 -39.18 93.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 73.42 110.897 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.785 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 8.1 t70 -96.0 8.84 42.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.525 . . . . 75.33 110.965 -176.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.5 t -87.57 115.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 73.31 110.308 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.9 125.32 29.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.115 -0.493 . . . . 74.25 110.26 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.44 116.91 29.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.532 -0.914 . . . . 74.32 108.532 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.43 130.18 46.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 70.45 111.407 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.6 tp -80.44 122.32 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.637 -0.71 . . . . 74.03 110.099 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.651 HD13 ' HB ' ' A' ' 60' ' ' THR . 97.7 mt -96.74 -39.13 9.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.058 0.456 . . . . 75.44 110.576 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.671 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -122.3 131.72 54.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.164 -0.68 . . . . 72.3 109.164 -177.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -110.86 115.69 29.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.458 . . . . 65.22 112.02 -174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.497 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.3 pt? -126.99 -43.45 1.68 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.388 -0.824 . . . . 73.31 109.722 172.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.521 ' HA ' HG21 ' A' ' 11' ' ' VAL . 41.9 tt0 59.97 -88.46 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 114.984 -1.007 . . . . 72.45 111.676 -176.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -152.82 135.31 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.215 -0.291 . . . . 75.53 110.215 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.245 0.831 0 CA-C-O 118.977 -0.535 . . . . 74.1 110.343 175.87 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.6 -0.518 . . . . 73.53 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -108.78 108.47 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.978 -1.119 . . . . 74.33 107.978 172.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.551 ' O ' HG21 ' A' ' 7' ' ' VAL . 12.1 p -52.33 -31.68 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 123.301 0.376 . . . . 74.31 112.004 -170.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.91 -28.69 69.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.558 -0.292 . . . . 71.54 111.551 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -80.8 -41.24 23.67 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.321 -0.992 . . . . 71.5 108.321 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -41.3 92.55 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.311 -1.313 . . . . 73.54 110.89 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.551 HG21 ' O ' ' A' ' 3' ' ' VAL . 96.6 t -63.91 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.67 176.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.47 ' HA ' HG21 ' A' ' 11' ' ' VAL . 89.2 m-20 -69.4 -28.25 66.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 74.41 110.562 177.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.0 tp -69.98 -42.28 73.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.289 0.566 . . . . 75.3 109.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.54 HD22 HG23 ' A' ' 49' ' ' THR . 56.0 tp -57.1 -49.44 75.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.287 -0.87 . . . . 74.41 110.782 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.5 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 30.0 m -65.52 -34.98 74.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.012 -0.275 . . . . 71.0 111.353 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.13 -40.8 98.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.887 -0.412 . . . . 75.1 109.887 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -66.14 -35.46 80.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 74.03 110.64 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' LEU . 76.1 mt -66.89 -34.17 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.018 0.437 . . . . 74.25 110.236 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.5 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 32.7 m-70 -70.45 -31.05 68.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.96 0.41 . . . . 74.0 110.483 173.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -79.87 -48.94 12.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 74.53 111.825 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 81.7 mt -105.34 -3.09 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.969 0.414 . . . . 74.22 111.206 -173.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.48 154.37 24.1 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.6 -0.809 . . . . 64.44 112.901 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -120.67 156.21 32.21 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.952 -0.759 . . . . 74.01 108.952 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -84.9 132.32 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.257 0.551 . . . . 63.23 111.539 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -81.04 173.78 12.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 72.21 109.543 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.58 -16.21 64.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.167 0.508 . . . . 73.54 110.52 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -78.57 -14.79 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.583 -0.735 . . . . 72.45 110.656 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.48 12.46 57.1 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.619 -0.801 . . . . 61.44 112.879 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -112.55 152.0 29.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 73.41 110.758 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 15' ' ' HIS . 72.2 mt -80.07 139.7 36.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 73.31 110.593 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.5 m -143.88 143.46 31.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.051 -0.522 . . . . 74.22 111.074 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.23 138.04 37.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.442 -0.799 . . . . 73.12 109.23 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HB2' HG22 ' A' ' 32' ' ' VAL . 66.4 mttm -70.97 139.5 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.98 0.419 . . . . 72.12 111.013 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -53.91 -38.59 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 75.21 110.804 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.7 -26.73 67.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.233 -0.508 . . . . 61.42 112.917 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.438 HG22 ' HB2' ' A' ' 29' ' ' LYS . 54.9 t -76.37 -48.5 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.25 -46.0 85.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.586 -0.734 . . . . 72.13 111.085 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 15.0 t80 -61.97 -32.93 73.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 72.42 110.439 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.8 tpt85 -65.43 -52.98 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.578 -0.737 . . . . 74.44 110.984 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.19 -35.9 74.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.462 -0.335 . . . . 75.23 110.498 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.04 -39.89 93.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.454 -0.339 . . . . 74.13 111.289 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 77.2 mttt -70.4 -18.63 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.045 0.45 . . . . 75.23 110.993 178.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 73.01 111.16 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.0 -23.25 15.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.525 0.565 . . . . 75.03 112.525 -173.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.45 55.72 2.23 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.311 0.577 . . . . 74.41 110.574 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -81.28 -41.0 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.402 -0.817 . . . . 74.41 110.314 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -113.8 99.36 7.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.789 -0.641 . . . . 75.23 109.484 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.46 -29.27 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 63.04 110.505 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.6 83.45 2.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 74.23 109.611 170.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -39.19 88.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.814 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.452 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 48.8 t -58.48 -43.01 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.975 -0.557 . . . . 62.24 110.435 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.16 -44.12 94.48 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.138 -0.553 . . . . 73.0 112.237 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.54 HG23 HD22 ' A' ' 10' ' ' LEU . 8.6 m -59.68 -40.36 87.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 64.21 110.674 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.97 -46.51 81.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.844 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 68.1 mmtt -55.51 -48.87 73.96 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.377 -0.374 . . . . 74.33 110.244 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.32 -53.36 57.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 75.54 111.17 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.557 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . . . -68.9 -38.34 79.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.677 -0.692 . . . . 73.01 111.621 -176.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.507 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 82.9 tttt -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.908 0.385 . . . . 74.11 110.469 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 23.5 mmt85 -70.49 -25.97 63.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.54 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.659 ' HB3' HG12 ' A' ' 58' ' ' ILE . 27.5 ttt180 -85.15 1.05 49.69 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.984 -0.553 . . . . 73.32 110.276 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 63.12 25.55 14.95 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.642 -0.708 . . . . 74.34 111.491 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.659 HG12 ' HB3' ' A' ' 56' ' ' ARG . 36.2 mm -78.3 -43.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.032 -0.729 . . . . 72.52 109.032 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.3 m -132.67 170.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.2 -0.909 . . . . 73.33 110.317 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.642 ' HB ' HD13 ' A' ' 79' ' ' LEU . 13.1 t -146.47 150.94 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.563 -0.532 . . . . 74.32 109.563 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.507 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 9.8 p90 -162.03 141.92 7.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.082 -0.508 . . . . 72.1 109.862 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -53.58 139.65 66.28 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.497 2.131 . . . . 75.25 111.617 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.11 -160.93 41.98 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.971 -0.633 . . . . 54.35 111.931 -174.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -164.59 8.23 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.838 0.351 . . . . 74.04 110.675 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.6 mt -137.08 178.32 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 73.32 110.744 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.594 ' HG ' ' H ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -152.77 -64.56 0.16 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 75.42 110.197 177.332 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.594 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 60.2 mt 58.07 22.31 8.82 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.172 0.51 . . . . 64.0 111.512 175.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -163.68 -69.62 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.423 -0.808 . . . . 73.4 110.22 -174.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.83 -1.68 0.82 Allowed Glycine 0 C--O 1.223 -0.538 0 C-N-CA 120.611 -0.804 . . . . 54.32 112.324 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.99 -11.24 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-O 121.347 0.594 . . . . 75.34 111.898 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 74' ' ' VAL . 1.5 t60 -85.74 2.49 45.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.986 0.422 . . . . 74.0 110.394 -176.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -67.9 -36.5 80.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.829 0.677 . . . . 73.33 112.829 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.48 -7.13 59.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 44.4 110.033 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 71' ' ' HIS . 73.8 t -76.92 132.88 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.54 -0.755 . . . . 73.14 110.87 -178.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.435 ' CG ' ' HZ2' ' A' ' 29' ' ' LYS . 17.9 m-20 -83.44 129.23 34.98 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.047 -0.979 . . . . 74.41 110.648 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.11 116.34 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.958 -0.756 . . . . 74.03 108.958 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 55.7 mt -99.34 130.86 47.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.308 -0.405 . . . . 75.25 111.461 -171.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 35.3 tp -84.16 121.1 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 73.44 110.284 178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.642 HD13 ' HB ' ' A' ' 60' ' ' THR . 93.3 mt -94.97 -43.91 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 75.11 111.106 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 41.5 mt-30 -107.97 132.01 53.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.264 -0.426 . . . . 73.41 110.196 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -99.19 100.78 11.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.444 0.64 . . . . 64.43 110.056 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.12 -55.58 33.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.243 -0.889 . . . . 75.3 108.972 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.81 154.5 25.01 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.05 -0.977 . . . . 74.55 108.512 170.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -89.98 -89.1 0.16 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.576 -0.45 . . . . 72.23 110.575 -173.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.443 -0.789 . . . . 64.35 109.553 -179.558 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.376 -0.231 . . . . 72.42 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.629 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 51.8 m-80 -90.88 104.05 16.69 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.939 -0.763 . . . . 74.43 108.939 176.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.531 ' O ' HG22 ' A' ' 7' ' ' VAL . 11.8 p -71.94 -32.31 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.764 0.316 . . . . 72.33 111.057 -172.16 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -41.87 92.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 70.22 110.681 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.439 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -76.46 -28.29 56.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.849 -0.614 . . . . 73.11 110.905 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 97.9 mt-10 -73.19 -31.64 64.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.306 . . . . 65.44 111.152 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 3' ' ' VAL . 73.7 t -63.15 -49.16 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.788 -0.187 . . . . 70.14 111.124 178.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.517 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.9 p-10 -72.21 -30.92 65.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.578 -0.449 . . . . 62.11 110.116 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.523 HD23 ' HB3' ' A' ' 42' ' ' LEU . 56.6 tp -60.98 -43.63 98.55 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.572 -0.529 . . . . 75.51 109.572 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.54 HD21 HG22 ' A' ' 49' ' ' THR . 57.8 tp -56.54 -51.1 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.372 -0.831 . . . . 74.24 110.91 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 8' ' ' ASN . 3.5 m -66.57 -30.95 51.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 75.34 110.757 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.52 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mt-10 -72.36 -37.1 68.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.952 -0.299 . . . . 71.42 110.884 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -63.98 -36.88 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.703 -0.48 . . . . 72.21 109.703 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 10' ' ' LEU . 71.0 mt -66.33 -32.84 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 74.11 110.18 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.52 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 24.7 m170 -59.06 -35.38 73.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.901 0.382 . . . . 75.44 110.681 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -86.63 -48.59 8.18 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.078 0.399 . . . . 74.44 112.078 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -94.59 -3.11 50.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.192 0.442 . . . . 64.33 112.192 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.62 133.6 11.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.647 -0.787 . . . . 74.35 113.389 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -96.49 145.78 25.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.008 -0.738 . . . . 73.44 109.008 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -78.24 129.96 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.423 0.63 . . . . 74.35 112.37 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.481 HD22 ' HB2' ' A' ' 27' ' ' SER . 95.4 m-20 -87.66 177.9 6.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.173 -0.921 . . . . 75.14 109.258 171.177 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.56 -17.1 62.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 73.25 111.245 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' HB3' ' HG3' ' A' ' 25' ' ' LYS . 1.2 m-20 -78.87 -16.89 56.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.72 -0.673 . . . . 73.4 111.612 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.07 2.88 88.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.454 -1.059 . . . . 71.12 110.454 -167.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.491 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 65.0 mttp -83.71 152.8 24.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.461 -0.57 . . . . 75.41 109.461 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -97.09 125.29 41.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.969 0.414 . . . . 75.45 110.772 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.481 ' HB2' HD22 ' A' ' 21' ' ' ASN . 12.2 t -115.38 142.99 45.95 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.262 -0.644 . . . . 72.12 109.262 175.29 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.96 138.02 44.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 C-N-CA 120.153 -0.619 . . . . 72.11 110.332 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.612 ' HB2' HG23 ' A' ' 32' ' ' VAL . 73.5 mmtt -64.38 135.56 56.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.948 0.404 . . . . 74.42 110.352 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -56.7 -38.82 72.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 73.15 109.962 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.52 90.5 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.848 -0.691 . . . . 62.33 111.947 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.612 HG23 ' HB2' ' A' ' 29' ' ' LYS . 50.6 t -62.35 -46.37 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.122 0.487 . . . . 74.45 110.296 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -46.42 79.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.382 -0.827 . . . . 64.34 110.407 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -68.29 -38.88 82.11 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.318 -0.401 . . . . 74.23 111.24 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -71.48 -29.41 64.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.674 0.273 . . . . 71.42 111.028 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.79 -47.26 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.274 -0.639 . . . . 75.21 109.274 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.49 -31.16 71.72 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.185 0.517 . . . . 73.43 110.652 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -56.64 -34.0 66.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.135 0.493 . . . . 71.32 110.445 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.0 m -88.99 -34.5 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.912 -0.586 . . . . 70.02 112.277 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.46 -34.72 9.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.87 0.693 . . . . 74.14 112.87 -172.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.445 HD21 ' HA ' ' A' ' 41' ' ' ASN . 4.3 m120 53.89 65.45 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.419 0.628 . . . . 74.15 111.123 -172.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.523 ' HB3' HD23 ' A' ' 9' ' ' LEU . 88.3 mt -81.91 -31.54 31.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.266 -0.879 . . . . 74.53 109.427 177.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -113.76 121.03 42.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.416 -0.811 . . . . 72.44 109.926 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.58 -41.51 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.258 0.551 . . . . 75.22 110.025 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.9 86.85 2.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.427 -0.806 . . . . 75.52 109.622 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.85 -38.39 82.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.905 -0.589 . . . . 62.44 110.328 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 47.8 t -62.31 -32.74 55.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 75.11 110.487 177.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 -46.64 23.4 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 73.33 112.173 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.54 HG22 HD21 ' A' ' 10' ' ' LEU . 6.9 m -59.43 -44.8 92.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 75.14 110.761 176.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 HD22 ' A' ' 10' ' ' LEU . 95.2 mt -61.39 -35.29 77.09 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.395 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.436 ' HZ1' ' CD ' ' A' ' 64' ' ' GLU . 6.8 tppt? -67.83 -44.38 77.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.867 -0.606 . . . . 72.31 110.689 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.18 86.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 71.34 111.073 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.566 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.72 -28.7 60.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.728 -0.669 . . . . 64.41 111.582 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.504 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 89.0 tttt -69.95 -35.85 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.113 0.482 . . . . 75.44 109.805 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -64.46 -35.92 82.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.939 -0.573 . . . . 74.35 110.771 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -89.04 7.54 34.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.591 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.0 mptt 58.63 23.78 11.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.203 0.601 . . . . 74.42 111.069 179.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.709 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 90.3 mt -73.8 -42.25 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.148 -0.933 . . . . 74.12 108.852 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.7 m -135.31 159.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.291 -0.868 . . . . 70.44 109.559 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.0 t -138.06 147.54 44.17 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.468 -0.567 . . . . 72.23 109.468 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.504 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 28.2 p90 -159.89 135.61 6.03 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 115.764 -0.653 . . . . 74.03 109.701 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 4.2 Cg_exo -75.31 139.96 24.11 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.847 2.364 . . . . 75.24 111.357 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.28 87.97 1.67 Allowed Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.625 -0.798 . . . . 75.33 112.797 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.436 ' CD ' ' HZ1' ' A' ' 51' ' ' LYS . 31.1 mm-40 -65.68 -36.06 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.298 -0.63 . . . . 71.5 109.298 173.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -101.43 105.19 16.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.077 -0.965 . . . . 74.42 109.33 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.657 HD22 ' H ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -83.48 -16.47 45.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.983 179.013 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mp 67.28 -77.56 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.905 0.753 . . . . 73.04 111.772 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -133.92 -172.84 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.224 -0.444 . . . . 72.0 109.818 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.85 40.07 2.46 Favored Glycine 0 C--O 1.223 -0.583 0 C-N-CA 121.069 -0.586 . . . . 73.11 112.413 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.9 m -97.46 -1.56 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.674 0.749 . . . . 71.45 110.183 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.35 16.57 3.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.911 -1.04 . . . . 74.24 111.165 -174.423 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.39 -40.36 59.1 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.229 0.826 . . . . 73.42 113.229 -170.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -95.49 9.01 41.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.989 0.423 . . . . 61.24 111.86 -170.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.6 121.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.091 -0.381 . . . . 75.31 110.133 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 2.5 m-20 -78.96 122.52 26.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 74.22 110.643 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.99 108.84 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.192 -1.04 . . . . 72.12 108.192 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.1 mt -96.58 121.79 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 71.24 111.426 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 8.7 tt -82.61 113.49 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 72.42 109.632 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.491 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.8 mt -89.6 -42.18 11.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.75 -0.659 . . . . 74.41 110.724 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.709 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 28.6 tt0 -121.05 131.22 54.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 74.2 109.587 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.42 ' OD2' ' HA ' ' A' ' 85' ' ' HIS . 4.4 t0 -99.05 99.66 10.71 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.472 -0.566 . . . . 72.4 109.472 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.9 tp -70.1 -28.34 65.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.625 -0.716 . . . . 70.15 111.261 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -88.03 -77.97 0.34 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.126 -172.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.498 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 27.3 m80 -152.65 -89.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.351 -0.611 . . . . 71.11 109.351 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 84' ' ' HIS . 37.0 t60 . . . . . 0 C--O 1.246 0.905 0 O-C-N 123.999 0.812 . . . . 60.1 109.732 171.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.866 -0.42 . . . . 72.51 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 23.5 t-20 -108.94 109.04 20.01 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.203 -0.665 . . . . 72.41 109.203 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 7' ' ' VAL . 7.4 p -61.92 -30.2 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 123.225 0.328 . . . . 71.34 111.73 -171.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -62.9 -46.21 88.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.112 0.482 . . . . 70.13 110.386 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -69.52 -32.75 71.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.99 -0.55 . . . . 74.35 110.437 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 49.4 mt-10 -67.38 -29.52 69.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 73.11 110.973 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 3' ' ' VAL . 86.4 t -61.96 -45.24 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.988 0.423 . . . . 73.31 110.535 174.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -66.48 -31.03 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 73.03 110.486 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD21 ' HB3' ' A' ' 42' ' ' LEU . 58.2 tp -68.2 -41.55 81.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.511 -0.552 . . . . 74.3 109.511 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.625 HD21 HG22 ' A' ' 49' ' ' THR . 43.0 tp -58.61 -52.03 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 73.21 110.825 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.1 -31.03 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 75.21 111.039 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.71 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 4.8 mm-40 -69.75 -49.78 49.8 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.358 -0.383 . . . . 62.32 111.079 176.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.02 -40.87 95.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 74.22 110.906 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.605 HG22 HG12 ' A' ' 28' ' ' VAL . 93.5 mt -59.55 -51.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 74.5 111.126 178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 1.007 ' HB2' HD11 ' A' ' 26' ' ' LEU . 4.7 p80 -71.54 -30.94 66.48 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.586 -0.445 . . . . 75.35 111.157 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -78.32 -41.45 33.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 75.52 111.735 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.86 -21.03 26.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 74.52 111.06 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.13 -165.83 40.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.687 -0.768 . . . . 73.01 113.932 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p -142.98 158.1 43.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.13 -0.535 . . . . 60.12 109.843 -176.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 45.1 mtmt -77.88 136.01 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 74.35 111.655 -178.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -86.12 171.19 11.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.123 -0.944 . . . . 74.23 108.818 170.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.6 -21.05 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.36 0.6 . . . . 72.43 110.996 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.414 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 16.4 t70 -77.97 -15.15 59.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 72.5 110.413 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.27 -1.46 67.16 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.858 -0.687 . . . . 60.22 112.232 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 53.2 mttp -85.23 151.04 24.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.351 . . . . 75.14 110.491 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 1.007 HD11 ' HB2' ' A' ' 15' ' ' HIS . 14.2 mt -95.58 118.69 32.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.889 -0.596 . . . . 74.24 110.312 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -122.29 144.78 48.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.415 -0.357 . . . . 73.34 110.843 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.605 HG12 HG22 ' A' ' 14' ' ' ILE . 14.4 p -139.74 145.93 25.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.232 -0.44 . . . . 72.15 110.292 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.617 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 12.3 mttt -65.37 135.57 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.542 -0.299 . . . . 73.22 110.87 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HE1' HD12 ' A' ' 50' ' ' LEU . 88.3 t80 -56.61 -41.75 77.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.019 -0.537 . . . . 71.23 110.777 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.524 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -61.1 -32.61 81.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.127 -0.558 . . . . 74.33 112.453 -178.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.7 t -68.2 -51.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 74.1 110.338 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.562 HD23 ' HE2' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -64.56 -42.33 95.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.64 . . . . 74.1 110.127 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -60.33 -41.12 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 74.42 110.583 -179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' ' 36' ' ' ASP . 9.9 ttp180 -64.76 -51.83 60.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.314 0.578 . . . . 74.2 110.984 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 35' ' ' ARG . 1.4 m-20 -69.93 -36.78 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.522 -0.763 . . . . 74.54 112.137 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.19 -36.99 84.53 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.552 -0.459 . . . . 75.4 110.689 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 84.4 mttt -59.49 -25.08 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.97 0.414 . . . . 74.3 111.158 176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -83.24 -29.84 28.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.003 -0.544 . . . . 74.31 111.735 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.54 -25.92 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.283 0.475 . . . . 73.52 112.283 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.3 m120 59.29 60.59 2.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.589 0.709 . . . . 71.52 110.167 -174.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.7 mt -80.63 -35.87 33.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.083 -0.962 . . . . 72.44 109.635 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' HE2' HD23 ' A' ' 33' ' ' LEU . 54.2 m-85 -101.14 129.29 47.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.166 -0.925 . . . . 74.25 109.437 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.34 -53.44 16.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.536 -0.913 . . . . 74.41 108.536 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.98 85.12 2.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.404 -0.816 . . . . 63.34 109.863 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.442 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 65.9 tp -54.32 -44.36 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 74.21 111.245 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.66 -35.2 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.339 . . . . 51.22 110.758 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.49 62.91 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.903 -0.665 . . . . 65.14 111.973 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.625 HG22 HD21 ' A' ' 10' ' ' LEU . 13.7 m -60.79 -40.5 92.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.848 0.356 . . . . 72.35 110.278 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.0 mt -62.2 -49.37 76.05 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.906 -0.588 . . . . 75.15 110.536 176.232 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 50.6 mmtt -55.48 -48.99 73.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.78 -0.645 . . . . 75.53 111.147 177.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 73.44 111.7 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' HB2' HG11 ' A' ' 7' ' ' VAL . . . -70.71 -30.44 67.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 74.24 111.365 -177.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.564 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.0 tttt -67.99 -41.3 82.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.934 -0.395 . . . . 73.55 109.934 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mmt180 -73.2 -23.67 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 74.43 111.048 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -85.13 3.47 38.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 70.33 110.605 175.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 63.55 25.03 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.908 -0.587 . . . . 72.42 110.71 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.6 HG12 HE21 ' A' ' 80' ' ' GLN . 56.7 mt -87.49 -36.21 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 73.4 110.285 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -135.84 161.88 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.475 -0.33 . . . . 73.12 110.198 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.778 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.8 t -139.58 147.04 40.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.99 0.424 . . . . 65.3 110.279 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.564 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.5 p90 -164.86 134.38 2.87 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 62.54 109.503 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 74' ' ' VAL . 24.5 Cg_exo -63.85 140.21 72.31 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.817 2.345 . . . . 74.03 112.306 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.93 135.89 8.24 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.81 -0.71 . . . . 72.5 112.494 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -104.73 -14.52 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.195 0.521 . . . . 54.41 110.244 175.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.5 mt -137.13 160.07 40.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.347 -0.842 . . . . 71.4 110.418 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -158.16 149.45 21.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.42 -0.809 . . . . 65.3 109.042 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 mt -97.24 -77.16 0.5 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.081 0.467 . . . . 62.2 110.072 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.48 -169.52 1.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 74.45 109.709 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.22 38.42 2.42 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.843 -0.694 . . . . 71.33 112.51 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.8 p -76.6 -16.43 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.388 0.613 . . . . 72.24 110.395 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -80.79 16.17 1.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.794 -0.639 . . . . 73.12 111.389 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.524 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 16.7 t70 -55.02 -32.45 61.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.481 -0.327 . . . . 74.54 111.465 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.617 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 26.9 t70 -84.21 -3.16 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.4 0.619 . . . . 71.32 110.496 -175.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 62' ' ' PRO . 94.4 t -83.52 121.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 74.12 109.883 176.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.75 127.78 39.64 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.103 -0.499 . . . . 72.5 109.972 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -86.43 109.26 18.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.716 -0.846 . . . . 75.53 108.716 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.0 mt -95.5 126.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.222 -0.444 . . . . 72.53 111.0 -173.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 tp -79.7 110.76 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 75.32 109.66 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.778 HD11 ' HB ' ' A' ' 60' ' ' THR . 90.9 mt -84.62 -36.44 22.0 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.922 -0.581 . . . . 73.25 110.741 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.6 HE21 HG12 ' A' ' 58' ' ' ILE . 9.1 tt0 -121.06 131.17 54.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 73.25 110.062 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.471 ' OD2' ' HB2' ' A' ' 84' ' ' HIS . 27.7 t70 -88.86 105.39 17.71 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.786 -0.45 . . . . 74.51 109.786 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -94.3 -65.9 0.95 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.084 -0.507 . . . . 73.52 110.157 -177.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -95.96 97.43 9.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.081 -0.509 . . . . 63.55 110.125 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.471 ' HB2' ' OD2' ' A' ' 81' ' ' ASP . 41.3 t-80 -90.55 103.43 16.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.17 -0.468 . . . . 71.43 110.437 -176.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.7 m80 . . . . . 0 C--O 1.243 0.724 0 CA-C-O 118.554 -0.736 . . . . 72.13 109.449 177.481 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 ttm . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.951 -0.389 . . . . 72.02 109.951 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -70.12 118.38 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.671 -0.492 . . . . 54.21 109.671 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.481 ' O ' HG22 ' A' ' 7' ' ' VAL . 11.3 p -60.65 -27.63 41.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.963 -0.562 . . . . 75.25 111.646 -175.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.07 -40.93 77.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 73.53 111.195 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.22 -39.3 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.691 -0.231 . . . . 61.32 110.694 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.87 -40.93 94.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 71.33 110.227 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.481 HG22 ' O ' ' A' ' 3' ' ' VAL . 55.5 t -62.59 -48.16 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.071 -0.513 . . . . 73.41 111.177 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.473 ' O ' HG23 ' A' ' 11' ' ' VAL . 84.4 m-20 -69.86 -27.82 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 64.33 110.473 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -67.04 -40.7 87.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.461 -0.57 . . . . 74.11 109.461 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.719 HD21 HG21 ' A' ' 49' ' ' THR . 50.7 tp -57.9 -49.16 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 74.32 110.999 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 8' ' ' ASN . 4.4 m -63.5 -33.39 61.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.889 -0.324 . . . . 75.42 110.458 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -65.13 -48.87 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.197 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 44.3 mm-40 -61.57 -40.01 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.909 -0.587 . . . . 64.34 110.982 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 10' ' ' LEU . 59.1 mt -68.18 -33.28 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 74.31 110.844 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.47 -41.64 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.837 0.351 . . . . 73.25 111.306 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HD3' ' OE1' ' A' ' 12' ' ' GLU . 8.4 mtp-105 -86.9 -49.03 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.621 0.6 . . . . 74.44 112.621 -176.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -82.68 -18.01 42.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.58 0.228 . . . . 73.23 111.507 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.469 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -81.22 162.37 44.08 Favored Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.88 -0.676 . . . . 70.25 112.866 -175.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.2 t -122.22 154.07 37.99 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.87 -0.789 . . . . 62.13 108.87 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -81.71 130.43 35.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.375 0.607 . . . . 75.11 111.125 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 p30 -87.89 -174.54 4.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.031 -0.986 . . . . 73.35 110.205 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.99 63.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 74.22 111.043 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.32 -14.95 59.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.749 -0.659 . . . . 75.32 110.692 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.58 18.06 34.09 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.884 -0.598 . . . . 71.01 112.907 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.25 166.18 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.876 0.37 . . . . 73.45 111.166 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.57 138.23 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 74.2 111.02 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 m -143.36 143.16 31.55 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.843 -0.617 . . . . 74.23 109.519 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.469 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 8.4 p -145.35 137.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.541 0.21 . . . . 73.22 110.556 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.418 ' HZ3' ' CG ' ' A' ' 73' ' ' ASP . 5.7 mptp? -63.05 128.87 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.628 -0.508 . . . . 71.23 109.628 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.571 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 66.2 t80 -54.94 -38.2 67.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.781 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.87 75.64 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.073 -0.584 . . . . 52.23 112.536 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.42 -47.61 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.051 0.453 . . . . 73.31 110.288 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.449 HD23 ' HE2' ' A' ' 43' ' ' PHE . 5.7 tt -65.74 -46.35 79.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.667 -0.697 . . . . 75.23 110.152 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.439 ' HD1' HD11 ' A' ' 46' ' ' LEU . 81.3 t80 -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.52 . . . . 74.2 110.929 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.14 -44.29 96.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 74.32 110.567 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.17 -40.45 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 74.2 109.992 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.57 -49.45 77.74 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 116.135 -0.484 . . . . 70.03 111.049 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 26.9 mmtm -64.36 -13.66 51.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 70.32 111.773 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -87.02 -16.34 35.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.466 -0.334 . . . . 74.22 111.069 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.443 ' O ' ' HB2' ' A' ' 41' ' ' ASN . . . -120.45 -32.7 4.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.816 0.341 . . . . 71.21 111.804 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.454 ' N ' HD21 ' A' ' 41' ' ' ASN . 0.9 OUTLIER 72.83 56.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.804 0.842 . . . . 71.2 110.094 -176.476 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -49.49 10.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.06 -0.973 . . . . 73.23 110.602 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.449 ' HE2' HD23 ' A' ' 33' ' ' LEU . 71.7 m-85 -92.41 125.16 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.886 -0.597 . . . . 72.43 110.948 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -53.48 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.376 -0.972 . . . . 75.3 108.376 174.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.64 84.75 2.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.584 -0.735 . . . . 74.44 110.269 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.439 HD11 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tt -62.42 -45.65 92.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.181 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.92 -42.14 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 55.42 110.824 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.82 -35.71 91.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.833 -0.699 . . . . 75.43 111.674 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.719 HG21 HD21 ' A' ' 10' ' ' LEU . 91.7 m -66.44 -39.03 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 73.33 110.748 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.507 HD11 ' CE1' ' A' ' 30' ' ' PHE . 92.5 mt -57.62 -48.64 78.86 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.084 -0.507 . . . . 72.31 110.592 176.562 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 2.3 mptm? -62.31 -43.96 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.43 110.907 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.99 79.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 72.31 111.641 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -74.44 -26.15 59.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.22 -0.445 . . . . 72.15 111.388 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -75.85 -33.06 60.0 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.878 -0.416 . . . . 72.44 109.878 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 92.8 mtt-85 -69.93 -29.91 67.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.343 -0.389 . . . . 74.54 110.543 175.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.599 ' HB2' HG12 ' A' ' 58' ' ' ILE . 94.7 mtt180 -84.56 -5.07 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 74.55 110.695 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.1 mttt 60.12 33.26 21.17 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.451 0.643 . . . . 73.23 110.466 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.599 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.4 mm -78.37 -45.52 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-N 115.182 -0.917 . . . . 74.1 108.914 175.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.76 163.19 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.264 -0.88 . . . . 72.55 110.405 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.628 ' HB ' HD12 ' A' ' 79' ' ' LEU . 15.4 t -139.27 147.64 41.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.121 0.486 . . . . 74.22 110.425 176.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.543 ' HE2' HD23 ' A' ' 66' ' ' LEU . 7.0 p90 -160.48 136.36 6.08 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.366 -0.834 . . . . 74.52 109.238 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 14.5 Cg_exo -69.33 140.91 45.5 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.991 2.461 . . . . 64.45 112.203 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.53 106.55 3.08 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.502 -0.856 . . . . 73.25 112.779 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -14.92 52.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.272 0.558 . . . . 73.35 109.782 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.5 tp -127.5 106.98 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.533 -0.758 . . . . 72.44 109.622 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.543 HD23 ' HE2' ' A' ' 61' ' ' TYR . 3.3 mm? -82.5 111.2 18.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.086 0.47 . . . . 72.52 110.741 -176.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.7 mt -83.48 -174.08 5.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.906 -0.588 . . . . 73.53 109.853 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -61.76 -78.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.512 0.56 . . . . 75.23 112.512 -173.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.05 10.04 75.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.593 -0.813 . . . . 70.51 113.12 -170.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -92.71 -14.23 8.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.934 0.397 . . . . 71.22 110.78 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.686 ' O ' HG13 ' A' ' 74' ' ' VAL . 2.3 p-80 -99.05 -11.69 21.24 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.432 -0.507 . . . . 74.33 111.753 -173.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -68.34 -38.88 81.92 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.962 -0.461 . . . . 70.44 111.615 -171.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.418 ' CG ' ' HZ3' ' A' ' 29' ' ' LYS . 15.4 t70 -103.66 9.36 37.3 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.839 -0.344 . . . . 75.5 110.941 -177.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.686 HG13 ' O ' ' A' ' 71' ' ' HIS . 8.3 p -74.04 119.44 21.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 119.578 -0.849 . . . . 74.43 109.444 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.55 118.34 21.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.578 -0.737 . . . . 72.24 111.014 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.5 mm -85.74 108.07 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.031 -1.1 . . . . 75.13 108.031 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.79 128.91 45.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.951 -174.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.5 tp -81.83 110.43 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.622 -0.51 . . . . 72.33 109.622 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.628 HD12 ' HB ' ' A' ' 60' ' ' THR . 87.6 mt -87.56 -32.24 19.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 64.33 110.59 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -128.71 132.85 48.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.819 -0.628 . . . . 73.14 110.064 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -114.86 129.44 56.7 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.661 -0.866 . . . . 74.42 108.661 171.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 pp -92.0 -36.58 13.32 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.696 -0.402 . . . . 74.01 109.926 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.12 -47.84 72.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.505 -0.77 . . . . 71.2 111.105 -173.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.6 m80 65.31 -76.12 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.664 0.602 . . . . 75.42 110.719 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.1 p80 . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.064 -0.969 . . . . 75.1 109.15 178.027 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 121.036 0.446 . . . . 65.24 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 6.1 m-20 -108.26 134.14 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.856 -0.794 . . . . 74.42 108.856 174.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.647 ' O ' HG22 ' A' ' 7' ' ' VAL . 14.9 p -51.91 -36.4 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 123.673 0.608 . . . . 72.42 112.302 -171.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -39.69 91.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.874 0.369 . . . . 74.23 111.921 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -79.77 -29.34 40.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.845 0.355 . . . . 71.43 110.907 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 18.6 mm-40 -67.51 -28.95 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 73.11 110.108 177.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.647 HG22 ' O ' ' A' ' 3' ' ' VAL . 57.6 t -57.41 -42.47 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.311 -0.404 . . . . 62.13 110.297 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.465 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 4.9 t30 -61.58 -41.53 97.54 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.663 -0.495 . . . . 71.5 109.663 176.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.17 -42.62 98.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.644 -0.707 . . . . 70.53 110.234 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.512 HD22 HG23 ' A' ' 49' ' ' THR . 57.0 tp -56.52 -47.02 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 72.4 110.032 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.403 HG21 ' O ' ' A' ' 7' ' ' VAL . 78.9 t -57.74 -42.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 73.42 111.223 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 41.1 mt-10 -61.5 -46.5 89.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.327 -0.397 . . . . 74.33 110.718 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.81 -36.9 85.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 71.33 111.068 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.1 mt -62.88 -33.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.983 0.42 . . . . 75.32 110.641 176.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.444 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-70 -64.03 -42.78 96.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.422 -0.354 . . . . 75.54 111.574 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HE ' ' HB3' ' A' ' 16' ' ' ARG . 2.1 ptp180 -86.12 -37.24 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.352 0.501 . . . . 70.04 112.352 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.9 mt -94.22 -3.56 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 73.35 111.259 -175.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.69 174.68 15.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.505 -0.855 . . . . 64.45 113.188 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -137.61 157.68 45.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.772 0.429 . . . . 72.11 110.062 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -76.38 135.08 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 65.4 111.211 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -88.82 -171.27 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 74.13 110.541 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.17 -16.96 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.4 0.518 . . . . 71.11 112.4 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -90.58 -14.3 32.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.559 0.695 . . . . 73.1 110.314 179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.2 63.46 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.584 -0.734 . . . . 74.41 112.083 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 54.6 mttp -84.8 158.38 20.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.36 -0.607 . . . . 73.51 109.36 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.444 HD13 ' HA ' ' A' ' 15' ' ' HIS . 98.9 mt -84.75 144.53 28.44 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.853 0.359 . . . . 73.22 110.362 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.422 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 18.0 m -139.39 141.86 37.54 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.226 -0.657 . . . . 72.21 109.226 173.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.3 138.78 49.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.288 -0.415 . . . . 62.41 110.241 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.634 ' HB2' HG22 ' A' ' 32' ' ' VAL . 47.1 mmtm -65.82 136.79 56.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.754 -0.462 . . . . 74.34 109.754 176.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.636 ' CZ ' HD12 ' A' ' 66' ' ' LEU . 80.7 t80 -61.6 -39.13 90.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.649 -0.705 . . . . 72.54 109.718 177.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -48.54 85.58 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.307 -0.861 . . . . 72.2 113.93 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.634 HG22 ' HB2' ' A' ' 29' ' ' LYS . 33.7 m -68.8 -32.22 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 117.391 0.595 . . . . 75.43 111.311 -176.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 tt -73.61 -46.42 47.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.738 -0.468 . . . . 72.22 109.738 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.31 -36.33 83.33 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.151 0.5 . . . . 73.02 110.057 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -53.16 -51.24 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.739 . . . . 74.24 111.16 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.87 -38.58 76.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 74.41 110.288 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.44 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.533 . . . . 71.4 111.284 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -63.58 -31.99 73.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.954 0.406 . . . . 64.25 110.648 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.4 t -87.51 -45.5 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.123 -0.489 . . . . 73.44 111.352 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -27.95 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.329 0.492 . . . . 74.2 112.329 -174.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 m120 56.59 66.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.205 0.526 . . . . 73.2 109.87 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.8 mt -80.43 -37.0 32.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.544 -0.753 . . . . 71.44 109.579 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -115.36 107.6 15.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.11 -0.95 . . . . 72.33 109.375 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.85 -29.91 65.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.205 0.526 . . . . 71.42 109.906 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.96 83.99 2.13 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.641 -0.709 . . . . 74.43 109.366 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.62 -46.79 83.67 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.412 -0.588 . . . . 75.33 109.412 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.692 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 46.5 t -56.22 -50.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.5 -0.773 . . . . 75.32 110.383 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.78 -38.07 93.39 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.054 -0.593 . . . . 71.11 112.511 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.512 HG23 HD22 ' A' ' 10' ' ' LEU . 18.9 m -65.16 -38.7 91.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.09 0.472 . . . . 65.44 110.461 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.96 -46.31 85.22 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 72.53 110.544 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 26.4 mmmt -59.78 -43.47 94.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 64.34 110.054 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.94 -53.46 57.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.855 -0.611 . . . . 72.42 111.477 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.761 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -68.75 -35.48 77.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 72.12 111.173 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HZ1' ' CD ' ' A' ' 64' ' ' GLU . 88.4 tttt -62.56 -43.25 99.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 74.4 110.385 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 49.5 mtp180 -73.6 -27.28 61.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 75.42 111.078 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.634 ' HB3' HG12 ' A' ' 58' ' ' ILE . 35.8 ttt180 -90.6 14.84 12.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.715 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.416 ' HG2' ' C ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER 51.89 25.56 3.12 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.983 0.913 . . . . 74.23 111.966 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.761 ' HB ' ' HB2' ' A' ' 53' ' ' ALA . 42.3 mm -76.67 -42.91 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.221 -0.659 . . . . 74.43 109.221 176.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.442 HG11 ' HA ' ' A' ' 78' ' ' LEU . 28.2 m -137.63 170.25 17.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.028 -0.987 . . . . 71.15 109.745 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.473 ' HB ' HD12 ' A' ' 79' ' ' LEU . 7.3 t -148.89 152.45 36.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 74.03 109.939 174.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.426 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.3 p90 -161.77 135.85 5.02 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.207 -0.664 . . . . 75.13 109.207 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 34.8 Cg_exo -60.1 140.43 92.41 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.751 2.3 . . . . 72.12 111.799 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.423 ' HA3' ' HE1' ' A' ' 71' ' ' HIS . . . 93.83 172.4 39.18 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.891 -0.671 . . . . 73.34 111.908 -177.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.442 ' CD ' ' HZ1' ' A' ' 54' ' ' LYS . 4.7 tp10 -132.24 -28.15 1.73 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.037 0.446 . . . . 72.11 110.266 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.9 tp -121.35 156.0 33.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.829 -0.623 . . . . 71.4 109.817 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.636 HD12 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -124.03 -15.61 6.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.286 -0.416 . . . . 74.14 112.054 -175.431 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.4 mt 62.07 -85.46 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.623 0.577 . . . . 75.43 110.195 -173.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -128.43 -69.67 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.232 -0.655 . . . . 74.44 109.232 173.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.68 42.63 0.91 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.582 -0.818 . . . . 75.11 112.445 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.612 HG13 ' HD2' ' A' ' 71' ' ' HIS . 7.6 p -79.43 -11.18 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 64.25 110.054 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.612 ' HD2' HG13 ' A' ' 70' ' ' VAL . 7.0 m170 -115.82 18.11 15.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.378 -0.828 . . . . 74.14 109.996 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.88 -38.48 56.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.092 -0.958 . . . . 72.01 112.1 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -87.1 5.66 36.57 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.931 0.345 . . . . 72.44 111.931 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.7 t -84.7 133.05 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 73.14 110.631 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.6 m-20 -83.9 119.42 24.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.534 -0.757 . . . . 73.24 109.935 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.2 mm -85.58 113.89 24.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.498 -0.927 . . . . 74.11 108.498 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -92.55 124.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.139 -0.482 . . . . 73.43 111.407 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.442 ' HA ' HG11 ' A' ' 59' ' ' VAL . 40.4 tp -80.2 111.11 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.416 -0.811 . . . . 75.04 109.423 176.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.56 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 96.7 mt -82.73 -42.34 18.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 74.31 110.464 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.414 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 45.3 mt-30 -112.86 130.79 55.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 64.43 110.294 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -125.49 122.77 37.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.978 -0.555 . . . . 72.33 109.962 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.618 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.5 pt? -105.8 -1.31 24.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.056 -0.52 . . . . 75.13 111.823 -174.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.98 94.62 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.433 -0.58 . . . . 74.24 109.433 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -93.06 119.79 32.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.642 -174.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.603 -0.713 . . . . 74.32 110.395 179.183 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mmt . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 108.744 -0.835 . . . . 70.14 108.744 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -75.42 114.03 13.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.111 -1.07 . . . . 75.23 108.111 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.566 ' O ' HG22 ' A' ' 7' ' ' VAL . 12.7 p -61.25 -36.56 73.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 111.855 0.317 . . . . 74.44 111.855 -169.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.38 -35.11 78.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.285 0.564 . . . . 75.23 109.946 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.1 -35.47 56.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.676 -0.693 . . . . 74.24 110.405 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.33 -30.02 70.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.782 -0.19 . . . . 73.21 111.041 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 3' ' ' VAL . 92.3 t -61.83 -40.33 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 52.32 110.32 174.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.438 ' HA ' HG21 ' A' ' 11' ' ' VAL . 65.6 m-20 -70.78 -29.37 65.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.107 0.48 . . . . 75.5 110.076 178.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.527 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 67.7 tp -71.33 -40.93 70.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.604 -0.517 . . . . 74.31 109.604 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' HG13 ' A' ' 14' ' ' ILE . 53.4 tp -57.53 -52.26 66.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.76 -0.655 . . . . 74.42 110.637 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.438 HG21 ' HA ' ' A' ' 8' ' ' ASN . 29.3 m -63.56 -30.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 74.53 111.219 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -48.03 74.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 74.24 109.85 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 4.6 mm-40 -65.85 -36.94 84.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.766 -0.652 . . . . 75.31 110.824 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 10' ' ' LEU . 70.5 mt -66.14 -32.2 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 73.43 110.422 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.72 -42.49 86.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.125 -0.23 . . . . 74.24 111.536 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.66 ' HG3' HD11 ' A' ' 17' ' ' LEU . 27.5 ptt85 -86.72 -39.43 16.01 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.442 0.534 . . . . 74.04 112.442 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.66 HD11 ' HG3' ' A' ' 16' ' ' ARG . 10.0 mp -86.1 -18.61 31.9 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.859 0.361 . . . . 61.43 111.269 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.03 137.39 31.69 Favored Glycine 0 N--CA 1.44 -1.083 0 CA-C-N 115.838 -0.619 . . . . 71.12 113.075 -174.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -99.26 155.61 17.41 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.806 -0.813 . . . . 60.23 108.806 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -76.7 123.39 26.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.477 0.656 . . . . 75.44 110.827 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -73.67 178.11 4.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.717 -1.129 . . . . 75.22 109.449 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.25 61.37 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.375 0.607 . . . . 75.23 110.229 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.442 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 21.9 t70 -93.47 -14.9 26.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.397 -0.819 . . . . 70.0 111.199 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 4.06 60.72 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.195 -1.002 . . . . 72.22 111.689 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.442 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 58.5 mttp -83.64 150.36 25.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.978 -0.379 . . . . 74.42 109.978 175.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.68 131.36 34.59 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.474 -0.565 . . . . 74.11 109.474 175.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -142.1 142.34 32.78 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.149 -0.478 . . . . 74.54 109.933 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.98 136.29 53.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.492 -0.322 . . . . 72.31 110.362 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.546 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 2.0 ttmm -73.24 139.78 46.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.505 -0.316 . . . . 72.44 110.629 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -56.92 -39.83 75.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 75.41 111.279 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.43 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -63.64 -41.27 99.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.805 -0.712 . . . . 71.04 112.431 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.87 -43.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.103 0.478 . . . . 64.42 110.246 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.86 -45.95 73.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 75.33 109.93 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.83 -42.16 97.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 64.21 111.433 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -66.45 -39.87 89.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.865 0.364 . . . . 63.23 110.786 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.95 -43.61 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.542 -0.54 . . . . 72.22 109.542 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.45 -53.46 47.96 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.894 -0.593 . . . . 61.11 111.24 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -56.87 -25.96 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.026 0.38 . . . . 75.12 112.026 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -66.76 -27.77 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 72.02 111.297 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.91 -22.21 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.106 0.479 . . . . 72.35 111.53 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 52.9 75.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.621 -1.172 . . . . 73.11 109.92 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -81.26 -42.41 20.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.441 -1.254 . . . . 74.4 109.435 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -90.12 115.34 27.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.189 -0.914 . . . . 73.45 109.662 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.4 -31.02 69.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.365 0.602 . . . . 63.42 109.798 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.93 83.82 2.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.656 -0.702 . . . . 74.3 109.606 172.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 58.9 tp -53.94 -48.46 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 73.4 111.678 -174.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 47.1 t -62.81 -39.48 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 74.24 110.568 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.45 -42.81 95.64 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.008 -0.542 . . . . 50.03 112.222 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.477 HG22 HD21 ' A' ' 10' ' ' LEU . 7.1 m -61.42 -41.09 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.428 . . . . 72.32 110.602 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 95.7 mt -61.97 -45.77 92.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.879 -0.6 . . . . 74.13 110.636 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -58.19 -46.23 86.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.962 -0.563 . . . . 75.13 110.893 178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.65 88.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.12 111.667 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.51 -27.12 60.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.557 -0.292 . . . . 71.21 111.423 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -73.53 -34.29 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.591 -0.522 . . . . 75.14 109.591 176.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -68.43 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 73.13 110.91 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.18 6.77 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.374 -0.375 . . . . 75.01 111.325 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 9.8 mptt 59.59 26.29 15.3 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.099 0.56 . . . . 74.24 111.215 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.812 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.5 mt -80.75 -47.43 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 70.1 109.888 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.426 HG12 HG22 ' A' ' 58' ' ' ILE . 33.3 m -135.59 157.33 39.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.899 -0.591 . . . . 73.24 110.275 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -138.09 147.93 44.51 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.074 0.464 . . . . 70.13 109.788 172.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.673 ' HB3' HG13 ' A' ' 76' ' ' ILE . 20.8 p90 -142.6 136.17 14.33 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.643 -0.708 . . . . 75.31 109.656 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 36.2 Cg_exo -61.96 140.06 82.7 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.63 2.22 . . . . 65.04 111.502 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.58 131.35 1.88 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.683 -0.77 . . . . 73.25 112.051 -177.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -108.27 -8.35 15.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.937 0.398 . . . . 72.33 111.111 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.1 tp -142.26 138.33 31.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 73.2 109.937 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -140.32 151.15 44.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.349 -0.387 . . . . 74.41 110.329 179.408 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD12 ' N ' ' A' ' 67' ' ' LEU . 6.3 mp -102.92 -79.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.065 -0.516 . . . . 65.21 110.12 178.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -161.14 122.25 2.86 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.58 -0.526 . . . . 73.32 109.58 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.99 -42.79 3.1 Favored Glycine 0 C--O 1.224 -0.509 0 C-N-CA 121.043 -0.599 . . . . 60.04 113.609 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.39 -15.91 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 N-CA-C 112.835 0.679 . . . . 74.45 112.835 -174.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -108.22 11.97 26.96 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.991 -0.443 . . . . 72.1 110.409 -177.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.43 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 4.2 t70 -63.83 -39.3 93.91 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.876 0.695 . . . . 64.54 112.876 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.546 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 p-10 -93.29 9.24 37.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.726 0.298 . . . . 74.0 111.759 -174.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.64 124.57 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.824 0.345 . . . . 75.41 110.375 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -90.83 136.05 33.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 74.22 111.308 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.673 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mp -96.45 120.37 45.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.691 -0.855 . . . . 71.34 108.691 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.09 132.34 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 74.44 111.325 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.43 115.89 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.852 -0.613 . . . . 74.2 110.159 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.5 -42.53 8.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.495 . . . . 74.35 110.086 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.812 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 8.4 tt0 -122.07 131.67 54.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.422 -0.808 . . . . 75.04 109.223 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -99.76 115.89 30.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.129 0.49 . . . . 71.05 110.307 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.3 tp -100.24 -40.93 7.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.493 -0.776 . . . . 73.55 111.293 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -71.79 136.31 47.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.967 -0.56 . . . . 74.34 111.046 -173.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -86.34 81.57 8.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.764 -0.653 . . . . 55.02 110.098 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--O 1.249 1.048 0 N-CA-C 109.152 -0.685 . . . . 75.51 109.152 177.134 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.583 0.23 . . . . 74.22 111.21 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -103.11 109.46 21.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.39 . . . . 74.41 110.399 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.442 ' O ' HG22 ' A' ' 7' ' ' VAL . 14.4 p -72.1 -29.16 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.579 . . . . 75.11 110.905 -177.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.7 -41.07 94.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.16 0.505 . . . . 74.42 110.804 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.2 -32.97 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.187 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.36 -35.69 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.168 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 3' ' ' VAL . 61.2 t -62.3 -48.71 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.439 177.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.62 ' O ' HG22 ' A' ' 11' ' ' VAL . 75.3 m-20 -67.66 -35.68 79.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.039 -0.528 . . . . 53.31 110.277 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.544 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.4 tp -61.47 -40.78 95.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.871 -0.418 . . . . 75.51 109.871 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.585 HD23 HG23 ' A' ' 49' ' ' THR . 57.2 tp -56.72 -41.34 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.646 -0.706 . . . . 75.25 110.8 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.62 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.56 -33.16 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.98 0.419 . . . . 75.32 110.25 -179.575 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.721 ' HA ' ' HG3' ' A' ' 83' ' ' GLU . 40.9 mt-10 -72.45 -38.81 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 72.34 110.131 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.8 mm-40 -61.86 -47.51 84.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 74.11 110.898 178.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.418 HG22 ' HB3' ' A' ' 26' ' ' LEU . 72.0 mt -62.27 -33.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.037 0.446 . . . . 61.41 110.6 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.404 -0.362 . . . . 70.52 111.939 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 31.5 ptt85 -87.31 -41.23 13.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.977 -0.289 . . . . 71.51 111.753 -176.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.43 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 4.3 tp -90.88 -25.05 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 74.42 111.358 -173.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.04 -175.7 43.85 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.765 -0.731 . . . . 74.35 111.997 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 t -128.92 155.82 44.7 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.019 -0.363 . . . . 72.45 110.019 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -77.28 137.53 38.85 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.48 0.657 . . . . 74.41 109.871 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -88.77 165.45 14.69 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.372 -1.285 . . . . 74.03 109.965 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.42 -14.19 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.849 0.833 . . . . 75.42 108.936 167.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -17.92 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.117 -1.402 . . . . 65.32 110.86 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.14 -1.81 65.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.636 -0.792 . . . . 73.54 113.518 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -112.11 168.02 9.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.459 0.63 . . . . 75.43 110.555 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.418 ' HB3' HG22 ' A' ' 14' ' ' ILE . 3.6 mm? -85.27 140.99 30.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.44 111.029 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -144.54 147.08 32.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.96 -0.564 . . . . 41.02 110.474 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -145.72 145.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.972 -0.558 . . . . 71.14 109.844 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.64 ' HB2' HG21 ' A' ' 32' ' ' VAL . 72.5 mmtt -71.67 144.29 49.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.482 . . . . 75.24 110.758 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -41.06 98.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.188 -0.914 . . . . 73.41 109.964 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -34.16 87.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 54.05 112.493 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.64 HG21 ' HB2' ' A' ' 29' ' ' LYS . 99.6 t -72.37 -49.82 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.313 . . . . 75.24 110.77 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.75 -45.67 92.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.979 -0.555 . . . . 73.42 109.799 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.77 -32.67 74.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.619 -0.719 . . . . 75.52 110.861 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -66.25 -45.54 80.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 73.13 111.484 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -36.89 73.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.769 -0.373 . . . . 74.15 110.346 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.98 -38.07 89.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.299 -0.409 . . . . 61.12 110.52 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.431 ' HB3' ' HE3' ' A' ' 38' ' ' LYS . 22.6 mmmt -64.89 -16.18 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.845 0.355 . . . . 75.53 111.395 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -87.65 -47.33 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.286 -0.416 . . . . 72.2 110.98 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.29 -15.62 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.866 0.691 . . . . 70.32 112.866 -172.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m120 57.04 64.47 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.605 0.717 . . . . 73.04 109.847 -173.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.434 HD12 ' OE2' ' A' ' 13' ' ' GLU . 31.0 mt -81.47 -48.04 12.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.859 -1.064 . . . . 74.53 110.759 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -100.05 134.16 43.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.584 -0.735 . . . . 75.12 110.095 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.22 -42.79 71.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 65.52 110.106 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.43 92.97 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.558 -0.746 . . . . 70.21 109.552 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.24 -41.01 87.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 74.15 111.728 -173.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.29 -45.37 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.681 0.277 . . . . 73.12 110.485 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.06 94.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.015 -0.612 . . . . 72.45 112.295 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.585 HG23 HD23 ' A' ' 10' ' ' LEU . 34.9 m -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.338 . . . . 74.21 110.588 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.51 -49.38 77.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.521 . . . . 73.25 110.571 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.736 ' HZ3' ' HG3' ' A' ' 64' ' ' GLU . 41.4 tttp -60.71 -40.34 91.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.14 -0.936 . . . . 75.44 111.473 -178.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.29 73.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.194 0.521 . . . . 74.45 110.703 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.712 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . . . -67.2 -31.43 71.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.574 -0.739 . . . . 73.44 111.131 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 86.0 tttt -62.97 -46.11 89.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.717 0.294 . . . . 73.4 110.619 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.86 -24.36 59.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 74.24 111.444 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.527 ' HB3' HG12 ' A' ' 58' ' ' ILE . 65.9 ttt180 -85.42 4.67 34.41 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.885 0.374 . . . . 71.25 110.448 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 58.59 30.58 20.03 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.93 -0.577 . . . . 74.21 111.642 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.712 ' HB ' ' HB3' ' A' ' 53' ' ' ALA . 42.4 mm -82.23 -50.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.352 -0.61 . . . . 71.04 109.352 174.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.43 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.1 m -134.5 171.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.334 -0.848 . . . . 75.24 110.024 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.712 ' HB ' HD13 ' A' ' 79' ' ' LEU . 6.6 t -142.6 147.53 35.98 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.105 0.479 . . . . 75.14 110.032 174.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -162.0 149.7 11.89 Favored Pre-proline 0 C--N 1.317 -0.807 0 N-CA-C 107.976 -1.12 . . . . 75.12 107.976 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.26 136.79 66.61 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 121.955 1.77 . . . . 75.52 111.921 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.1 -159.27 1.99 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.576 -0.738 . . . . 60.42 113.094 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.736 ' HG3' ' HZ3' ' A' ' 51' ' ' LYS . 2.2 pm0 -143.99 16.43 1.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.845 0.831 . . . . 75.14 109.085 171.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 1.7 pt? -144.25 102.47 3.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.564 -1.198 . . . . 74.33 109.022 177.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 71' ' ' HIS . 3.9 mm? -97.88 149.58 22.23 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.722 -0.672 . . . . 75.45 111.033 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -96.16 163.88 12.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.79 -0.641 . . . . 74.12 109.594 175.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.21 142.27 57.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.409 -0.359 . . . . 75.44 110.659 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.4 -52.72 4.75 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.14 -0.552 . . . . 64.55 113.51 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.7 m -69.52 -24.02 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.015 0.436 . . . . 73.43 111.494 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.597 ' HA ' HG22 ' A' ' 74' ' ' VAL . 2.5 p-80 -88.15 -9.36 53.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.275 -0.42 . . . . 65.52 110.967 -173.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -36.16 75.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.004 0.372 . . . . 71.41 112.004 -170.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -93.61 8.96 38.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 75.1 110.81 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 71' ' ' HIS . 58.7 t -74.72 123.41 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 74.32 110.589 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.69 114.87 27.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.868 -0.606 . . . . 64.23 109.755 175.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.477 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.7 mp -85.85 121.86 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.187 -0.672 . . . . 74.04 109.187 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -103.1 130.01 53.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.062 -0.517 . . . . 75.52 111.52 -172.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.6 tp -80.28 112.61 17.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.819 . . . . 75.52 109.286 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.712 HD13 ' HB ' ' A' ' 60' ' ' THR . 82.6 mt -85.1 -35.98 21.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 72.02 110.861 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.003 -0.544 . . . . 73.04 109.723 179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -97.79 107.26 19.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.321 0.581 . . . . 75.53 110.335 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 35.0 tp -108.02 -8.65 15.81 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.268 -0.878 . . . . 71.01 110.527 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.721 ' HG3' ' HA ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -95.5 150.71 20.02 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.718 -169.351 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -131.54 -37.45 1.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 74.35 111.486 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.2 m170 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.994 -1.003 . . . . 74.13 109.291 -165.411 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.302 -0.259 . . . . 73.55 110.302 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -109.52 107.25 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.181 -0.674 . . . . 73.33 109.181 176.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 7' ' ' VAL . 8.4 p -66.0 -31.64 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 74.0 112.029 -169.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.43 -37.29 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.098 0.475 . . . . 71.23 110.993 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -75.36 -33.94 61.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 74.42 110.119 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -72.73 -33.47 66.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 73.31 111.478 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.578 HG22 ' O ' ' A' ' 3' ' ' VAL . 57.9 t -66.3 -48.16 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.704 0.287 . . . . 71.44 110.577 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -59.39 -41.03 88.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.872 0.368 . . . . 74.53 110.48 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.662 HD22 ' HB3' ' A' ' 42' ' ' LEU . 56.7 tp -58.17 -46.85 85.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.77 . . . . 73.13 110.033 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.463 ' O ' HG13 ' A' ' 14' ' ' ILE . 56.2 tp -56.51 -47.0 80.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 74.21 110.607 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 7' ' ' VAL . 74.6 t -56.03 -45.84 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.626 . . . . 64.05 111.436 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mm-40 -67.77 -38.6 83.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.224 -0.443 . . . . 72.53 111.505 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.469 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 63.8 mm-40 -63.62 -41.11 98.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 73.34 110.231 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' LEU . 81.5 mt -63.59 -33.96 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 74.31 110.284 176.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.635 ' HA ' HD13 ' A' ' 26' ' ' LEU . 44.5 m170 -60.11 -46.49 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 72.1 111.354 178.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.418 ' NH1' HD12 ' A' ' 17' ' ' LEU . 6.3 ppt_? -87.2 -27.22 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.489 0.551 . . . . 74.52 112.489 -172.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' NH1' ' A' ' 16' ' ' ARG . 6.4 tp -104.49 -2.79 24.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.012 0.375 . . . . 72.12 112.012 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.88 164.43 14.42 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.347 -0.93 . . . . 73.41 113.484 -174.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.0 t -121.61 155.85 34.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.79 -0.818 . . . . 65.03 108.79 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -84.46 136.1 33.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.423 0.63 . . . . 75.35 112.2 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.651 HD22 ' HB3' ' A' ' 27' ' ' SER . 41.0 m-80 -75.9 -179.19 4.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.695 -1.139 . . . . 75.21 110.4 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.53 -16.85 62.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.22 0.533 . . . . 53.21 110.11 174.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -78.73 -16.94 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.625 -0.716 . . . . 73.23 109.803 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 -1.67 70.18 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.733 -0.667 . . . . 74.33 112.488 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 57.1 mttp -92.1 150.75 20.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.589 0.233 . . . . 73.05 110.511 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.635 HD13 ' HA ' ' A' ' 15' ' ' HIS . 60.0 mt -77.74 142.58 38.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.38 0.61 . . . . 75.41 111.601 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.651 ' HB3' HD22 ' A' ' 21' ' ' ASN . 6.5 p -135.31 143.28 46.1 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 74.03 110.342 176.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 14' ' ' ILE . 14.8 p -128.11 144.75 36.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.655 -0.498 . . . . 75.3 109.655 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB2' HG12 ' A' ' 32' ' ' VAL . 27.2 mmmt -77.51 149.59 34.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.254 0.55 . . . . 74.14 110.803 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -67.13 -40.81 86.87 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.105 -0.952 . . . . 73.44 110.47 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -46.66 89.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.891 -0.671 . . . . 70.33 112.91 -176.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.428 HG12 ' HB2' ' A' ' 29' ' ' LYS . 13.7 p -66.96 -39.87 84.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 72.23 110.794 -177.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.36 -46.08 67.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.181 -0.463 . . . . 71.24 110.17 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.3 -37.5 83.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 73.23 110.633 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -70.21 -46.06 65.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.866 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.28 -41.24 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.721 -172.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.02 -35.79 81.41 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.882 -0.327 . . . . 72.43 111.232 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.24 -18.75 17.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.581 0.586 . . . . 75.14 112.581 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -87.61 -21.0 25.6 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.085 0.402 . . . . 72.43 112.085 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.63 -28.6 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.143 -0.348 . . . . 63.02 111.804 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 57.71 55.26 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.505 0.669 . . . . 75.54 110.745 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.662 ' HB3' HD22 ' A' ' 9' ' ' LEU . 86.9 mt -80.57 -39.65 27.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.231 -0.895 . . . . 72.42 109.016 178.12 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -105.23 97.28 7.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.049 -0.978 . . . . 75.14 109.624 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.06 -29.83 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.389 0.614 . . . . 75.13 110.314 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 85.17 2.16 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.453 -0.794 . . . . 63.15 109.241 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.426 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 56.7 tp -55.72 -42.57 75.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.875 -0.602 . . . . 75.22 111.321 -175.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.61 -37.02 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.46 . . . . 74.2 110.233 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -47.5 61.68 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.82 -0.627 . . . . 74.22 112.033 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -61.67 -39.43 91.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.664 0.269 . . . . 75.45 110.62 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.458 HD22 HD21 ' A' ' 10' ' ' LEU . 85.0 mt -61.42 -48.08 82.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 72.2 110.579 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -39.16 92.34 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.387 -0.369 . . . . 74.24 111.113 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.05 -52.99 61.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.193 0.52 . . . . 73.11 110.917 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.502 ' HB3' HG11 ' A' ' 7' ' ' VAL . . . -72.91 -31.67 64.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.657 -0.701 . . . . 60.42 111.167 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.42 ' HZ2' ' CD ' ' A' ' 64' ' ' GLU . 82.9 tttt -65.44 -40.7 93.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.017 0.437 . . . . 73.35 110.129 177.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -73.54 -22.66 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 75.42 111.455 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -91.01 2.17 56.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.433 -0.349 . . . . 74.22 110.873 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 62.16 27.54 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.647 -0.706 . . . . 73.35 110.856 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.574 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.6 mt -86.87 -37.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.197 -0.911 . . . . 71.32 109.715 178.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.454 HG23 ' HB2' ' A' ' 53' ' ' ALA . 26.3 m -135.09 167.99 24.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.809 -0.632 . . . . 73.14 109.626 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.51 ' HB ' HD12 ' A' ' 79' ' ' LEU . 1.9 t -156.93 152.85 27.22 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.84 -0.43 . . . . 72.4 109.84 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.432 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 26.0 p90 -158.01 146.06 13.94 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 109.005 -0.739 . . . . 73.25 109.005 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.896 ' HD2' HG11 ' A' ' 74' ' ' VAL . 26.7 Cg_exo -63.57 139.27 69.2 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.267 1.978 . . . . 71.5 111.792 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.46 148.82 24.08 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.727 -0.749 . . . . 75.42 112.212 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' CD ' ' HZ2' ' A' ' 54' ' ' LYS . 4.3 tp10 -123.34 -34.81 3.05 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.684 -0.487 . . . . 73.45 109.684 179.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mp -111.94 144.93 40.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.646 -0.706 . . . . 75.51 110.184 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -165.4 163.63 19.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.887 -0.597 . . . . 74.11 109.753 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -148.0 -56.68 0.23 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.961 -0.385 . . . . 71.45 109.961 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -101.12 167.49 10.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.898 0.38 . . . . 75.5 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.75 67.18 2.95 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.861 -0.609 . . . . 75.22 112.63 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -98.44 -13.96 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.902 0.858 . . . . 74.13 109.697 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -110.05 20.2 18.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 74.52 111.991 -172.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -32.12 7.4 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.836 0.454 . . . . 72.03 111.355 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -85.54 0.51 52.23 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.036 -0.529 . . . . 73.31 111.608 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.896 HG11 ' HD2' ' A' ' 62' ' ' PRO . 38.5 t -74.61 121.14 25.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.416 -0.587 . . . . 72.3 109.416 174.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.494 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 3.0 m-20 -89.22 120.65 30.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.644 -0.707 . . . . 71.02 110.461 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.462 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.5 mp -86.1 108.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.341 -0.985 . . . . 71.13 108.341 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' ' 27' ' ' SER . 61.5 mt -95.38 127.99 46.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.621 -0.718 . . . . 71.3 110.826 -172.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.6 tp -80.45 110.54 16.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.507 -0.77 . . . . 71.32 109.511 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.51 HD12 ' HB ' ' A' ' 60' ' ' THR . 86.2 mt -87.62 -33.73 18.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.857 -0.61 . . . . 73.54 110.666 -176.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.574 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 24.1 tt0 -131.23 132.3 44.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.022 -0.536 . . . . 74.3 110.403 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.446 ' HB2' ' ND1' ' A' ' 84' ' ' HIS . 2.5 m-20 -98.84 97.87 9.02 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.605 -0.517 . . . . 74.23 109.605 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.47 -57.52 12.39 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.747 -0.835 . . . . 73.34 108.747 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -85.08 88.29 7.45 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.878 -1.156 . . . . 74.02 107.878 168.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.446 ' ND1' ' HB2' ' A' ' 81' ' ' ASP . 9.3 t60 -83.37 78.13 9.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.565 -0.743 . . . . 64.32 111.457 -168.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 m80 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.665 -0.698 . . . . 72.44 109.577 174.55 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.292 0.091 . . . . 71.01 110.835 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.696 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 30.8 t30 -98.01 105.77 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.46 -0.57 . . . . 72.15 109.46 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.567 ' O ' HG21 ' A' ' 7' ' ' VAL . 11.2 p -67.04 -34.29 68.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 73.02 112.745 -166.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.56 -42.28 82.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 73.13 111.194 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -79.84 -29.63 40.16 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.765 -0.374 . . . . 75.44 110.606 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.696 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 51.9 mt-10 -71.19 -29.02 64.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 75.43 110.585 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.567 HG21 ' O ' ' A' ' 3' ' ' VAL . 81.5 t -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.763 -0.458 . . . . 72.41 109.763 172.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.522 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.0 m-20 -61.92 -36.56 81.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.948 0.404 . . . . 73.42 110.234 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 63.0 tp -64.6 -42.3 95.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 73.21 109.536 175.584 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.574 HD23 HD22 ' A' ' 50' ' ' LEU . 56.9 tp -56.73 -49.7 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.433 -0.803 . . . . 75.35 110.681 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.522 HG22 ' O ' ' A' ' 8' ' ' ASN . 2.9 m -67.43 -30.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.552 -0.295 . . . . 65.41 110.537 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -66.3 -45.13 81.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.875 0.369 . . . . 74.14 110.017 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 19.9 mm-40 -60.98 -39.61 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 55.43 109.887 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 68.3 mt -66.19 -33.87 66.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.239 -0.437 . . . . 75.15 110.742 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.546 ' HA ' HD12 ' A' ' 26' ' ' LEU . 64.9 m170 -55.03 -48.5 73.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.927 0.394 . . . . 74.35 110.632 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -87.38 -45.41 10.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 75.13 112.129 -174.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.0 mt -79.86 -29.74 40.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.629 0.252 . . . . 73.22 111.43 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.76 162.07 31.24 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.572 -0.823 . . . . 63.41 112.425 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -118.37 155.72 30.2 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.932 -0.395 . . . . 75.12 109.932 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.51 124.75 29.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 75.23 110.257 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -78.53 175.02 10.73 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.109 -0.95 . . . . 75.54 109.441 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -9.28 39.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.534 0.683 . . . . 73.41 110.015 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.22 -0.02 50.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.925 -1.034 . . . . 75.24 109.817 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.95 24.93 75.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.647 -0.706 . . . . 71.44 112.849 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -135.25 151.16 50.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.735 -0.273 . . . . 75.03 111.013 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 15' ' ' HIS . 82.7 mt -76.57 136.5 39.26 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.755 -0.657 . . . . 74.24 110.913 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -143.86 147.35 33.93 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.315 -0.402 . . . . 71.4 110.473 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.41 136.79 14.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 74.41 109.078 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.427 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 39.9 mtmt -70.69 143.32 51.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.129 0.49 . . . . 73.14 111.22 -177.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.43 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 7.9 t80 -56.16 -41.6 75.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 72.22 110.286 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.86 -31.44 72.01 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.15 -0.548 . . . . 61.02 113.304 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.56 -51.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 72.5 110.609 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.64 -41.78 92.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.903 -0.59 . . . . 73.5 110.225 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.13 -38.12 73.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.025 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -61.28 -50.36 73.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 74.22 110.749 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.58 -41.86 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.402 . . . . 70.12 110.369 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.849 -0.614 . . . . 72.15 111.628 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.973 ' HA ' ' HE3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.9 -19.78 63.4 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.845 -0.342 . . . . 74.12 111.643 -178.31 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -88.06 -47.22 8.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.495 -0.321 . . . . 75.31 110.672 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -22.52 23.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 63.31 112.322 -173.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.474 HD21 ' HA ' ' A' ' 41' ' ' ASN . 3.5 m120 60.0 62.33 1.67 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.642 0.734 . . . . 54.12 110.34 -172.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.28 -48.05 13.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.003 . . . . 75.54 109.759 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 10' ' ' LEU . 34.6 m-85 -114.55 103.52 11.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 74.23 109.271 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -52.74 -44.31 66.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.968 -0.56 . . . . 75.1 110.53 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.31 84.52 2.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 52.11 109.584 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.49 -42.0 77.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.759 -0.655 . . . . 74.21 111.227 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.573 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.4 p -61.35 -40.5 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.721 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.03 -42.98 94.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.919 -0.657 . . . . 72.22 112.279 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.473 HG21 HD22 ' A' ' 10' ' ' LEU . 8.8 m -61.3 -39.62 91.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.034 0.445 . . . . 72.55 110.499 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.574 HD22 HD23 ' A' ' 10' ' ' LEU . 95.0 mt -67.78 -43.03 80.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.002 -0.545 . . . . 73.21 110.822 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.573 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 13.9 mmmm -58.06 -45.67 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 73.43 110.778 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -52.2 66.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.718 -0.674 . . . . 74.43 110.834 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.481 ' HB3' HG13 ' A' ' 7' ' ' VAL . . . -68.35 -36.44 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.065 -0.516 . . . . 71.23 111.54 -176.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.453 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 83.8 tttt -63.71 -46.46 85.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 75.51 110.525 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -78.27 -19.23 54.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.789 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' HD3' HD11 ' A' ' 58' ' ' ILE . 27.1 ttt180 -85.07 -0.09 53.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.322 -0.622 . . . . 72.41 109.322 172.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.52 28.05 15.2 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.727 -1.124 . . . . 75.34 111.843 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.69 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 87.1 mt -86.27 -41.12 14.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.247 -0.888 . . . . 75.22 109.902 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.0 m -131.57 167.37 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.14 -0.482 . . . . 74.52 110.141 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.409 ' HB ' HD13 ' A' ' 79' ' ' LEU . 12.1 t -150.02 152.64 35.19 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.308 -0.627 . . . . 70.35 109.308 174.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -157.75 150.54 18.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.02 -0.536 . . . . 73.41 109.691 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -62.42 139.54 77.31 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.378 2.052 . . . . 70.15 111.923 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.14 -153.71 52.89 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.697 -0.683 . . . . 72.42 112.272 -175.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -164.53 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.312 0.577 . . . . 65.13 109.966 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.73 96.02 9.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.713 -0.676 . . . . 65.23 109.421 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 71' ' ' HIS . 83.6 mt -106.29 126.82 52.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.013 -0.539 . . . . 73.32 111.285 -174.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.763 ' HG ' ' H ' ' A' ' 68' ' ' GLN . 15.3 tp -81.8 -171.93 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.907 -0.588 . . . . 74.34 109.689 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.763 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 17.0 tm0? -68.97 -68.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.751 0.31 . . . . 74.52 111.535 -172.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.03 -8.9 85.98 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 74.13 113.972 -170.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.37 -19.1 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 117.271 0.536 . . . . 61.45 111.619 -175.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.527 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 1.4 p-80 -82.42 3.66 27.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.533 0.568 . . . . 75.41 112.533 -170.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.427 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 19.8 t70 -71.94 -31.06 65.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.715 -0.394 . . . . 70.22 111.174 -176.296 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.2 9.09 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.835 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 71' ' ' HIS . 20.9 t -90.45 115.34 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.032 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -96.65 118.35 32.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.072 -0.714 . . . . 70.41 109.072 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.12 108.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.839 -0.8 . . . . 75.35 108.839 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.5 mt -100.01 124.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.554 -0.748 . . . . 71.32 111.191 -171.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.02 116.97 20.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 74.31 110.131 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 HD13 ' HB ' ' A' ' 60' ' ' THR . 94.3 mt -93.71 -40.06 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.199 0.523 . . . . 74.25 110.431 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.69 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -123.35 131.47 53.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.634 -0.712 . . . . 75.35 109.498 -178.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.448 ' OD2' ' HA ' ' A' ' 84' ' ' HIS . 39.7 t0 -117.44 95.28 4.89 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.439 -0.578 . . . . 73.14 109.439 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.91 -66.74 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.555 -0.748 . . . . 74.01 111.319 -176.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -88.29 83.33 6.92 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.835 -0.802 . . . . 71.35 108.835 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.448 ' HA ' ' OD2' ' A' ' 81' ' ' ASP . 84.0 t60 -85.31 107.8 17.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.032 -0.986 . . . . 75.14 111.495 -168.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.385 -0.816 . . . . 74.43 109.285 176.212 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.387 0.137 . . . . 75.33 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.517 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 9.6 t30 -109.23 134.43 51.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.877 -0.416 . . . . 65.25 109.877 -178.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.514 ' O ' HG22 ' A' ' 7' ' ' VAL . 13.5 p -54.28 -35.44 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 113.13 0.789 . . . . 73.21 113.13 -168.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.04 -37.07 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 74.44 110.982 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -79.79 -32.88 40.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.397 -0.365 . . . . 74.31 110.759 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 8.6 mm-40 -58.22 -45.19 88.1 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.679 -0.489 . . . . 75.44 109.679 178.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 3' ' ' VAL . 57.8 t -62.97 -43.82 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 115.671 -0.695 . . . . 75.11 111.557 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.511 ' O ' HG23 ' A' ' 11' ' ' VAL . 87.2 m-20 -67.82 -32.71 73.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 73.34 110.353 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.11 -36.82 85.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.662 -0.496 . . . . 74.44 109.662 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.693 HD21 HG22 ' A' ' 49' ' ' THR . 57.7 tp -58.42 -45.84 87.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 73.32 110.57 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.57 -33.82 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.034 -0.358 . . . . 75.55 110.034 -179.187 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 1.9 mm-40 -65.33 -38.98 91.78 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.348 -0.387 . . . . 71.32 110.961 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -66.02 -43.62 87.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.162 -0.472 . . . . 75.31 110.514 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.505 HG22 ' HB2' ' A' ' 78' ' ' LEU . 64.9 mt -62.67 -34.05 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 75.12 110.395 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.421 ' HE1' ' O ' ' A' ' 83' ' ' GLU . 63.8 m170 -57.39 -52.23 66.19 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.439 -0.346 . . . . 75.51 111.138 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -86.96 -44.15 11.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 74.42 112.618 -171.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -87.71 -12.51 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.662 0.245 . . . . 74.12 111.662 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.46 167.5 32.61 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.593 -0.813 . . . . 74.41 112.965 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -125.12 159.1 32.26 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.377 -0.601 . . . . 71.34 109.377 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.25 127.9 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.784 0.802 . . . . 51.54 111.207 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.07 169.75 12.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.243 -1.344 . . . . 74.0 108.938 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.57 64.96 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.605 0.594 . . . . 74.31 112.605 -172.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.82 5.73 38.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.953 0.353 . . . . 73.35 111.953 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.97 61.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.323 -0.941 . . . . 73.13 111.222 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -94.15 164.56 13.01 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.335 -0.617 . . . . 74.24 109.335 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.13 120.8 41.36 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.652 -0.499 . . . . 73.24 109.652 176.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.505 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 29.0 t -124.97 143.49 50.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.797 0.332 . . . . 75.12 111.066 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -147.08 140.37 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.849 -0.614 . . . . 62.11 110.195 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 37.4 mtmt -70.52 148.27 48.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.194 0.521 . . . . 73.42 111.407 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.97 -40.41 89.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.354 -0.839 . . . . 73.23 111.2 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.72 -44.5 97.41 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.076 -0.583 . . . . 63.42 112.754 -175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.29 -43.75 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 71.13 110.434 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.479 HD23 ' HE2' ' A' ' 43' ' ' PHE . 4.7 tt -64.49 -45.8 85.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.714 -0.675 . . . . 73.35 109.845 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.64 -42.53 88.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 75.3 110.363 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -48.38 75.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.702 . . . . 74.4 111.696 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.92 -44.81 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.84 -0.344 . . . . 74.11 110.85 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.36 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 74.42 111.422 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' HA ' ' HZ2' ' A' ' 38' ' ' LYS . 5.3 mmpm? -75.21 -19.12 59.96 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.746 -0.596 . . . . 74.22 110.921 177.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -88.5 -46.75 8.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.17 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.34 -21.74 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.128 0.418 . . . . 74.55 112.128 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 56.7 68.51 0.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.558 0.694 . . . . 72.41 109.515 -170.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.5 -48.09 12.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.1 -0.955 . . . . 74.54 110.507 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.479 ' HE2' HD23 ' A' ' 33' ' ' LEU . 66.8 m-85 -98.11 122.0 40.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.602 -0.726 . . . . 72.31 110.444 -176.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.87 -33.57 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.094 -0.706 . . . . 74.32 109.094 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.63 84.27 2.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.38 -0.827 . . . . 64.23 109.683 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.26 -56.97 15.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.986 -0.552 . . . . 71.32 111.57 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.19 -33.58 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.835 -0.346 . . . . 75.42 110.591 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.94 99.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.619 -0.801 . . . . 74.44 111.728 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.693 HG22 HD21 ' A' ' 10' ' ' LEU . 62.8 m -59.66 -43.19 94.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 74.22 110.546 176.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.15 -50.1 67.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 60.03 110.757 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -61.0 -36.76 80.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.745 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.53 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 52.32 111.099 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.633 ' HB2' ' HB ' ' A' ' 58' ' ' ILE . . . -68.0 -35.26 78.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.728 -0.669 . . . . 75.44 111.861 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.6 tttt -64.77 -44.87 88.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.833 0.349 . . . . 75.13 110.417 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -71.58 -24.23 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.027 0.441 . . . . 72.23 110.846 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.539 ' HB2' HG12 ' A' ' 58' ' ' ILE . 69.5 mtt180 -84.44 -1.54 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 73.23 110.934 176.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 57.92 28.89 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.359 0.599 . . . . 74.21 111.169 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.633 ' HB ' ' HB2' ' A' ' 53' ' ' ALA . 36.0 mm -74.85 -43.74 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 108.014 -1.106 . . . . 75.34 108.014 172.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.513 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.8 m -137.21 166.32 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.323 -1.308 . . . . 75.03 109.018 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.471 ' HB ' HD11 ' A' ' 79' ' ' LEU . 10.3 t -144.64 149.19 35.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.887 0.375 . . . . 73.34 110.232 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.499 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -157.98 144.09 12.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 74.34 109.116 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 32.5 Cg_exo -62.08 139.66 79.85 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.422 2.081 . . . . 74.11 111.457 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.4 -174.58 49.99 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.651 -0.785 . . . . 75.23 111.58 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.405 ' H ' HD22 ' A' ' 65' ' ' LEU . 15.7 tt0 -158.44 21.28 0.23 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.724 0.773 . . . . 74.31 109.616 177.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.405 HD22 ' H ' ' A' ' 64' ' ' GLU . 2.5 pt? -150.18 148.58 29.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.701 -1.136 . . . . 73.25 108.886 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.503 HD13 ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.24 152.86 39.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.847 0.356 . . . . 65.32 110.717 178.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.44 -54.7 4.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.81 -0.632 . . . . 74.53 109.797 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.441 ' HB3' ' H ' ' A' ' 69' ' ' GLY . 26.6 mt-30 -156.54 -153.88 0.44 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.325 -0.852 . . . . 73.45 110.131 -178.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.441 ' H ' ' HB3' ' A' ' 68' ' ' GLN . . . -67.17 1.05 6.87 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.674 -0.298 . . . . 75.03 113.217 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -66.88 -11.26 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.512 0.672 . . . . 75.32 110.74 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -89.83 14.02 13.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 74.41 109.886 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.476 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 8.6 t70 -65.14 -21.44 66.79 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.878 -0.601 . . . . 72.35 111.386 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.89 4.6 28.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.825 0.821 . . . . 73.52 110.292 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 62' ' ' PRO . 88.9 t -112.39 125.6 69.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 73.1 110.665 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 5.3 m-20 -91.48 136.41 33.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.849 -0.614 . . . . 73.0 110.782 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.499 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.2 mp -97.17 121.31 47.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.679 -0.859 . . . . 74.22 108.679 175.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.48 130.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.962 0.411 . . . . 72.25 111.411 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.505 ' HB2' HG22 ' A' ' 14' ' ' ILE . 38.2 tp -80.3 128.1 33.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 74.31 109.946 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.471 HD11 ' HB ' ' A' ' 60' ' ' THR . 71.1 mt -106.79 -41.33 5.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.983 -0.553 . . . . 73.43 110.779 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.579 ' NE2' HD13 ' A' ' 58' ' ' ILE . 44.5 mt-30 -111.44 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.964 -0.562 . . . . 75.13 110.557 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -103.54 90.39 3.66 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.454 -0.572 . . . . 74.4 109.454 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.29 -46.29 90.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.392 -0.822 . . . . 73.32 111.079 -174.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' O ' ' HE1' ' A' ' 15' ' ' HIS . 31.5 tt0 -143.32 109.73 5.41 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.05 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -70.87 139.67 50.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.725 . . . . 74.33 110.811 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.63 -0.7 . . . . 74.35 109.259 177.176 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 108.431 -0.951 . . . . 73.31 108.431 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -70.34 136.89 50.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.117 -1.068 . . . . 73.33 108.117 168.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.588 ' HA ' ' OE1' ' A' ' 6' ' ' GLU . 8.6 p -51.29 -28.28 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 113.031 0.752 . . . . 75.42 113.031 -167.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.49 -26.93 65.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.526 -0.306 . . . . 71.32 111.324 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -79.39 -35.82 40.12 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.592 -0.521 . . . . 64.51 109.592 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.588 ' OE1' ' HA ' ' A' ' 3' ' ' VAL . 3.9 mp0 -72.47 -38.17 68.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.364 -0.834 . . . . 73.31 110.317 178.163 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 3' ' ' VAL . 88.5 t -62.38 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.119 174.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.12 -33.73 76.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.874 -0.603 . . . . 73.23 110.141 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.604 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.5 tp -68.81 -43.11 76.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.88 -0.6 . . . . 74.43 110.218 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.507 HD22 HG21 ' A' ' 49' ' ' THR . 59.7 tp -56.26 -44.14 79.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.979 -0.555 . . . . 74.21 109.997 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.87 -36.94 75.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.282 -0.872 . . . . 75.41 110.915 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.8 tp10 -64.21 -45.87 86.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.078 0.466 . . . . 75.25 110.725 177.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.604 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 3.2 mm-40 -61.91 -35.65 78.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.807 -0.633 . . . . 73.21 110.393 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' A' ' 78' ' ' LEU . 63.2 mt -67.3 -32.35 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.832 -0.622 . . . . 71.12 110.309 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -66.93 -37.41 84.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.993 0.425 . . . . 72.02 110.243 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.481 HH21 ' CD ' ' A' ' 13' ' ' GLU . 42.3 mtm105 -81.01 -49.24 11.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 71.42 112.016 -174.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.14 -2.75 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 73.15 111.198 -173.285 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . -89.13 132.6 11.34 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.647 -0.787 . . . . 62.32 113.069 -175.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -99.17 157.09 16.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.809 -0.811 . . . . 71.12 108.809 175.27 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -77.03 133.22 39.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.238 1.018 . . . . 65.32 112.421 -174.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -88.72 176.0 7.27 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.51 -1.677 . . . . 64.32 109.785 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.23 74.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.652 0.612 . . . . 73.13 112.652 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.694 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 7.1 m-20 -79.45 -7.98 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.234 . . . . 52.31 111.223 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.49 12.34 56.03 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.74 -0.944 . . . . 72.14 110.74 -171.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.694 ' HG3' ' HB2' ' A' ' 23' ' ' ASP . 16.6 mttp -84.53 168.23 15.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 64.31 109.582 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.18 136.21 41.4 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.657 -0.497 . . . . 74.44 109.657 172.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -138.77 142.02 38.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.88 0.371 . . . . 72.33 110.199 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.53 137.93 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.287 -0.415 . . . . 71.12 110.142 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 75' ' ' ASP . 63.6 mttm -79.14 146.23 33.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.702 -0.226 . . . . 73.43 110.767 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -53.51 -41.92 66.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 64.1 111.442 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -38.1 79.6 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 121.173 -0.537 . . . . 73.13 112.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.17 -43.27 37.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.058 0.456 . . . . 75.54 110.569 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.48 -45.22 80.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.903 -0.589 . . . . 74.3 110.068 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 49.3 t80 -58.35 -39.76 80.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.769 -0.651 . . . . 74.14 110.322 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -53.29 -47.36 69.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.822 -0.626 . . . . 74.44 111.11 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.16 -40.25 74.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 74.22 110.353 -174.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.04 -43.41 95.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 73.21 111.098 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 31.0 mmmt -60.95 -14.5 23.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.045 0.387 . . . . 74.44 112.045 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -80.74 -42.07 22.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 74.42 111.163 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.75 -11.33 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.732 0.641 . . . . 74.15 112.732 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 54.01 71.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.849 0.833 . . . . 73.52 109.035 -167.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.38 -41.69 21.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.576 -1.193 . . . . 74.43 110.265 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -108.47 106.44 16.54 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.634 -0.712 . . . . 75.55 110.244 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.36 -40.7 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.163 0.506 . . . . 74.24 109.841 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.89 86.92 2.53 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.086 -0.709 . . . . 74.33 109.086 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 49.5 tp -56.96 -45.72 82.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.877 -0.601 . . . . 74.11 110.766 -176.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.26 -37.25 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 72.22 110.732 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.14 85.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.939 -0.648 . . . . 60.23 112.327 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.507 HG21 HD22 ' A' ' 10' ' ' LEU . 32.4 m -59.39 -41.44 89.37 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.725 0.298 . . . . 72.23 110.674 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.487 HD22 HD23 ' A' ' 10' ' ' LEU . 96.3 mt -61.3 -48.31 81.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.303 -0.408 . . . . 75.35 110.497 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -58.73 -41.79 87.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.952 -0.567 . . . . 73.0 111.208 178.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.22 70.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 74.45 111.18 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.664 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . . . -74.6 -26.99 60.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.889 -0.596 . . . . 74.41 111.119 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 81.5 tttt -67.41 -39.04 85.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.787 -0.449 . . . . 73.34 109.787 177.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.75 -38.35 90.7 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.255 -0.43 . . . . 70.32 110.682 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.54 8.76 18.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.802 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 10.8 mptt 60.85 23.14 13.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.97 0.508 . . . . 74.15 111.487 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.696 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 88.3 mt -79.9 -47.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.976 -0.556 . . . . 75.54 109.813 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.472 HG22 ' HB1' ' A' ' 53' ' ' ALA . 30.9 m -129.94 161.44 39.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.96 -0.564 . . . . 72.34 110.066 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.6 t -142.75 148.06 36.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 72.11 110.098 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.612 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -155.03 136.86 9.58 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 108.775 -0.824 . . . . 75.43 108.775 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.418 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 37.3 Cg_exo -60.56 139.77 87.76 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.191 1.928 . . . . 75.32 111.651 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.83 174.74 49.79 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.035 -0.602 . . . . 65.02 112.693 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -119.73 -62.62 1.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.379 -0.6 . . . . 65.13 109.379 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.46 172.99 8.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.149 -0.932 . . . . 74.45 109.867 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 HD21 ' HB3' ' A' ' 71' ' ' HIS . 6.4 mp -121.94 133.91 54.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.024 0.44 . . . . 74.13 111.846 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.511 ' HB2' ' CG2' ' A' ' 70' ' ' VAL . 7.0 mp -99.61 147.83 24.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.324 -0.991 . . . . 73.43 108.324 168.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -68.22 115.0 7.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.888 0.375 . . . . 74.14 110.843 -173.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.41 -20.11 48.15 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.698 -0.763 . . . . 64.13 113.7 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.511 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 9.7 m -97.43 -23.11 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 117.216 0.508 . . . . 74.44 111.562 -173.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.469 ' HB3' HD21 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -106.38 -1.64 23.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.43 -0.35 . . . . 64.02 110.859 -171.521 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.07 -37.98 84.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 72.51 111.199 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.13 8.07 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.968 -0.56 . . . . 72.33 111.278 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.418 ' CG1' ' HD2' ' A' ' 62' ' ' PRO . 76.2 t -79.39 127.9 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 74.34 110.617 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.401 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 5.1 m-20 -86.74 130.22 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.48 -0.782 . . . . 72.44 111.036 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.612 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mp -94.45 119.36 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.766 -0.827 . . . . 73.11 108.766 172.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -100.64 128.28 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.084 -0.507 . . . . 75.4 111.059 -174.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.507 ' HB2' HG21 ' A' ' 14' ' ' ILE . 41.7 tp -81.96 110.95 17.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 74.21 109.835 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.46 -42.19 11.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.278 0.561 . . . . 75.42 110.419 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.696 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 29.3 tt0 -125.83 133.63 51.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.599 -0.728 . . . . 72.3 109.991 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -109.57 115.01 29.11 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.46 -0.571 . . . . 75.51 109.46 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.3 -6.04 53.76 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.274 0.472 . . . . 73.31 112.274 -176.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -98.02 -51.34 4.07 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.274 -0.57 . . . . 74.43 111.389 -170.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -139.34 -34.24 0.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.634 0.605 . . . . 71.33 112.634 -171.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.253 -0.88 . . . . 74.44 110.982 -173.015 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.001 0.429 . . . . 73.02 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.475 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 38.0 t30 -108.57 130.6 55.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.739 -0.837 . . . . 72.01 108.739 175.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.626 ' O ' HG21 ' A' ' 7' ' ' VAL . 11.8 p -51.41 -41.54 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 112.522 0.564 . . . . 71.12 112.522 -170.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -61.41 -41.35 97.02 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.836 0.35 . . . . 71.13 110.743 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -64.66 -42.82 95.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 73.25 110.141 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 8.5 mm-40 -64.22 -34.43 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 74.33 110.22 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.626 HG21 ' O ' ' A' ' 3' ' ' VAL . 61.6 t -68.28 -39.15 80.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.32 175.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -31.49 72.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.038 0.447 . . . . 65.45 110.149 174.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.9 tp -69.69 -44.51 70.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.881 -0.599 . . . . 74.42 109.536 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.534 HD23 HG21 ' A' ' 49' ' ' THR . 55.3 tp -56.57 -52.47 64.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.527 -0.761 . . . . 71.45 110.81 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.3 -30.57 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 75.43 111.271 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 31.8 tt0 -70.92 -45.35 64.4 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.667 0.27 . . . . 63.4 110.457 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' HA ' ' OE1' ' A' ' 13' ' ' GLU . 30.7 mm-40 -63.51 -34.51 77.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.667 0.27 . . . . 74.34 110.753 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' LEU . 92.4 mt -63.92 -33.56 62.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 74.14 110.418 175.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.47 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 2.4 m-70 -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.38 . . . . 75.14 111.272 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.469 HH21 ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -84.39 -48.35 9.75 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.188 0.44 . . . . 71.54 112.188 -176.234 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.33 -18.6 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.741 0.305 . . . . 74.24 111.402 -174.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.81 162.01 33.86 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.576 -0.821 . . . . 63.23 113.016 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -126.36 159.17 33.95 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.576 -0.898 . . . . 75.21 108.576 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -75.33 127.09 32.37 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 122.135 0.969 . . . . 73.43 111.253 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -86.12 172.48 10.54 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.614 -1.63 . . . . 71.35 109.565 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.4 -25.61 68.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.178 -0.464 . . . . 75.31 111.494 -175.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.6 -11.42 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.179 -0.464 . . . . 64.31 111.358 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.96 2.53 71.5 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 110.474 -1.05 . . . . 73.25 110.474 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -84.88 145.83 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.645 -0.777 . . . . 73.51 110.068 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.78 128.89 33.98 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.451 -0.574 . . . . 74.22 109.451 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -136.97 143.03 42.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.855 0.359 . . . . 54.52 110.74 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.86 138.27 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.859 -0.609 . . . . 74.52 110.177 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.68 142.14 38.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 74.21 111.296 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -69.59 -26.7 64.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 73.42 110.78 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.41 -48.09 81.68 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.704 -0.76 . . . . 71.12 112.102 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.11 -41.21 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.724 0.297 . . . . 64.44 110.911 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 75.53 110.159 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -66.87 -35.21 79.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.72 0.295 . . . . 71.05 110.291 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -61.0 -47.89 84.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 75.53 110.467 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.61 -48.75 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 72.23 110.993 178.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -31.26 71.44 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 116.534 -0.303 . . . . 73.54 111.074 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 38' ' ' LYS . 44.5 tptt -58.83 -28.65 66.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.967 0.413 . . . . 74.21 111.116 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 m -87.44 -16.9 33.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.125 -0.489 . . . . 74.14 111.906 -177.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.23 -33.64 3.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.645 0.609 . . . . 74.11 112.645 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.9 m120 55.73 63.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.359 0.664 . . . . 74.33 110.464 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -80.53 -45.35 17.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.532 -0.758 . . . . 75.43 109.815 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.412 ' CD2' HD13 ' A' ' 46' ' ' LEU . 64.0 m-85 -88.03 109.16 19.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.427 -0.806 . . . . 73.22 110.31 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.75 -53.3 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.356 -0.609 . . . . 75.32 109.356 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.34 84.81 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.693 -0.685 . . . . 71.24 109.822 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 43' ' ' PHE . 39.1 tp -58.2 -42.52 86.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 75.31 110.891 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.25 -32.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.159 -0.473 . . . . 72.35 110.299 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.73 -44.61 62.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.119 -0.562 . . . . 51.23 112.106 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.534 HG21 HD23 ' A' ' 10' ' ' LEU . 10.2 m -59.5 -43.71 93.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 74.41 110.722 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.38 -44.3 97.4 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.235 -0.438 . . . . 75.31 110.465 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 4.7 tptp -59.29 -45.89 90.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.02 -0.536 . . . . 74.51 110.737 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.819 -0.628 . . . . 74.23 111.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.87 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -75.24 -27.08 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.587 -0.733 . . . . 74.43 111.698 -176.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.33 -35.84 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.7 -0.4 . . . . 75.12 110.042 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 30.1 mmt180 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.061 0.458 . . . . 74.31 110.388 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.605 ' HB2' HG12 ' A' ' 58' ' ' ILE . 65.3 mtt180 -88.11 -1.19 57.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 73.24 111.586 -178.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 57' ' ' LYS . 33.0 mmtp 56.04 33.97 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.398 0.618 . . . . 71.25 111.041 -175.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.87 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 24.8 mm -72.18 -42.42 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 108.041 -1.096 . . . . 74.42 108.041 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 53' ' ' ALA . 28.8 m -135.63 171.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.494 -1.23 . . . . 74.51 109.156 177.102 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.9 t -152.09 150.89 30.42 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.72 -0.474 . . . . 52.23 109.72 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.578 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 27.5 p90 -157.55 148.16 16.11 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.097 -0.705 . . . . 64.43 109.097 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . 0.437 ' HD2' HG12 ' A' ' 74' ' ' VAL . 52.9 Cg_exo -55.2 137.67 77.41 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.245 1.963 . . . . 74.1 111.878 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.59 -154.47 9.13 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.668 -0.697 . . . . 62.41 112.754 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.578 ' HA ' ' CE2' ' A' ' 61' ' ' TYR . 5.4 pt-20 -160.14 -7.77 0.06 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.909 0.385 . . . . 75.22 110.636 172.445 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 tt -108.03 94.38 5.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.627 -0.879 . . . . 74.54 108.627 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.656 ' HB3' ' HB3' ' A' ' 71' ' ' HIS . 93.9 mt -121.12 100.0 6.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.515 -173.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -82.41 174.74 10.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.838 0.352 . . . . 71.0 110.885 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -64.81 151.26 45.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.523 . . . . 75.42 111.524 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.77 -42.46 3.11 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.62 -0.718 . . . . 72.03 112.914 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -97.1 -8.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.246 0.461 . . . . 73.52 112.246 -173.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.656 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -111.69 11.71 21.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.241 0.83 . . . . 74.43 113.241 -173.286 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.76 -34.59 71.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.914 -0.492 . . . . 74.52 111.773 -171.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -98.44 9.43 43.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.309 0.576 . . . . 72.11 110.819 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 71' ' ' HIS . 44.9 t -74.18 114.54 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.196 -0.456 . . . . 75.21 109.799 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.7 119.73 31.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.93 0.395 . . . . 75.13 110.812 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.519 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.4 mp -86.51 117.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.929 -0.767 . . . . 75.1 108.929 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.4 mt -96.24 126.17 48.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.054 -0.521 . . . . 72.3 110.947 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 37.9 tp -79.94 110.35 15.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.91 -0.586 . . . . 72.55 109.587 176.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 89.8 mt -88.73 -42.4 11.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.007 0.432 . . . . 74.44 110.376 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -107.05 130.46 54.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.53 -0.915 . . . . 75.1 108.53 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -125.42 85.14 2.36 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.327 0.584 . . . . 74.32 110.429 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.683 HD22 ' H ' ' A' ' 82' ' ' LEU . 2.0 pt? -105.16 -35.27 7.65 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.453 -0.794 . . . . 64.42 109.992 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.442 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 19.3 tt0 56.31 -109.96 0.52 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.791 -1.095 . . . . 72.11 109.853 -172.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 83' ' ' GLU . 8.6 p80 171.12 -40.3 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.078 0.551 . . . . 72.42 110.03 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.214 -0.898 . . . . 75.25 110.85 -174.672 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 7' ' ' VAL . 9.1 p . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 112.157 0.429 . . . . 74.299999999999997 112.157 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.59 -34.05 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 45.530000000000001 111.212 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -82.45 -36.5 26.53 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.704 0.764 . . . . 63.509999999999998 109.311 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.78 -37.8 83.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.246 -1.343 . . . . 72.129999999999995 111.343 -177.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 3' ' ' VAL . 97.3 t -56.15 -47.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.022 -0.536 . . . . 53.520000000000003 110.943 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 95.4 m-20 -73.05 -30.99 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 62.549999999999997 110.953 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 55.0 tp -62.67 -43.71 98.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.485 -0.561 . . . . 73.319999999999993 109.485 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 49' ' ' THR . 50.2 tp -57.28 -50.97 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.15 -0.932 . . . . 71.409999999999997 111.023 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 8' ' ' ASN . 22.7 m -64.78 -29.85 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.478 -0.328 . . . . 75.319999999999993 111.609 -176.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 35.6 mt-10 -69.77 -48.11 60.48 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.054 -0.35 . . . . 72.5 110.054 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.5 mm-40 -60.47 -40.5 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 74.340000000000003 110.776 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' LEU . 87.9 mt -63.46 -33.11 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 70.239999999999995 110.593 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -64.76 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.663 -0.244 . . . . 72.430000000000007 111.241 178.352 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -45.48 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.205 0.446 . . . . 72.340000000000003 112.205 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -81.53 -23.75 37.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.011 0.374 . . . . 71.310000000000002 112.011 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.567 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -82.15 151.54 30.16 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.084 -0.579 . . . . 64.349999999999994 113.215 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -121.85 153.17 38.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.056 -0.72 . . . . 44.130000000000003 109.056 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -77.57 131.1 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.275 0.559 . . . . 74.409999999999997 111.855 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -88.88 -173.86 4.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.362 -0.835 . . . . 65.129999999999995 109.552 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.39 67.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.405 0.521 . . . . 53.530000000000001 112.405 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.32 -1.67 37.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.214 0.53 . . . . 73.109999999999999 110.977 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.06 -1.14 87.76 Favored Glycine 0 C--O 1.228 -0.242 0 C-N-CA 121.117 -0.563 . . . . 70.420000000000002 112.925 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 61.7 mttp -98.36 153.37 18.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.84 0.353 . . . . 70.049999999999997 110.874 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 15' ' ' HIS . 95.1 mt -72.86 135.69 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.294 0.569 . . . . 45.439999999999998 110.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 13.8 m -143.67 142.12 30.85 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.658 -0.701 . . . . 75.120000000000005 109.804 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.567 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 7.2 p -133.33 136.65 54.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.969 -0.382 . . . . 51.240000000000002 109.969 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.69 141.1 51.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.76 0.314 . . . . 64.349999999999994 110.787 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -51.89 -41.07 61.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.562 -0.745 . . . . 75.540000000000006 111.305 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 72' ' ' ASP . . . -61.62 -34.16 87.53 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.993 -0.622 . . . . 72.209999999999994 112.722 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.18 -47.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.932 0.396 . . . . 71.129999999999995 110.464 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.01 -43.96 81.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 74.510000000000005 109.761 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 50.9 t80 -61.22 -37.88 84.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 74.430000000000007 110.479 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -48.02 77.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 73.329999999999998 110.77 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -41.21 84.26 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.989 -0.55 . . . . 75.239999999999995 110.845 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.85 -32.36 73.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.347 -0.388 . . . . 74.140000000000001 111.223 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 29.7 mmmt -64.0 -21.0 66.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.983 -0.448 . . . . 71.439999999999998 111.534 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -87.83 -48.25 7.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 62.219999999999999 111.351 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.91 -26.45 13.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.365 0.506 . . . . 60.210000000000001 112.365 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 m120 54.25 68.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.773 0.797 . . . . 74.099999999999994 110.172 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.03 -40.36 24.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.633 -1.167 . . . . 73.0 109.727 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -108.23 100.0 9.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.032 -0.986 . . . . 73.439999999999998 109.378 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.52 -30.59 67.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.107 0.479 . . . . 72.230000000000004 110.423 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.14 84.56 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 73.310000000000002 109.601 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.66 -44.68 89.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.5 110.993 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.39 -45.81 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.416 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.99 92.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.069 -0.586 . . . . 72.129999999999995 112.798 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 10' ' ' LEU . 27.6 m -67.42 -42.18 83.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 52.310000000000002 110.205 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.02 -44.89 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.954 -0.566 . . . . 60.439999999999998 110.527 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -58.35 -46.28 86.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.856 -0.611 . . . . 73.129999999999995 111.088 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.1 -46.45 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 73.519999999999996 111.257 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.03 58.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 52.200000000000003 111.25 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 85.2 tttt -73.89 -32.24 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.893 -0.41 . . . . 60.420000000000002 109.893 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 3.0 mmp_? -73.39 -29.9 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 63.119999999999997 110.862 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -84.58 0.92 48.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 75.040000000000006 110.858 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HE2' ' HB2' ' A' ' 57' ' ' LYS . 2.1 mppt? 58.29 30.22 19.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.879 -0.6 . . . . 65.510000000000005 110.575 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.599 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 77.6 mt -83.97 -40.61 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.606 -0.725 . . . . 73.129999999999995 109.452 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.71 155.98 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 63.149999999999999 109.982 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.547 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.6 t -134.42 147.69 50.5 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.608 -0.516 . . . . 75.5 109.608 173.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 22.7 p90 -157.37 136.08 7.82 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.857 -0.611 . . . . 70.109999999999999 109.419 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.766 ' HD2' HG13 ' A' ' 74' ' ' VAL . 35.0 Cg_exo . . . . . 0 N--CA 1.463 -0.322 0 C-N-CA 122.357 2.038 . . . . 52.25 111.736 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.7 m80 . . . . . 0 C--O 1.226 -0.152 0 CA-C-O 120.945 0.403 . . . . 75.310000000000002 110.099 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' HB2' ' HA3' ' A' ' 31' ' ' GLY . 13.1 p-10 -67.85 -21.85 65.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.516 . . . . 74.319999999999993 111.682 -174.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 -4.07 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.223 0.535 . . . . 51.520000000000003 110.983 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.766 HG13 ' HD2' ' A' ' 62' ' ' PRO . 51.3 t -73.96 119.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.915 -0.584 . . . . 54.340000000000003 110.614 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.51 124.71 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 75.129999999999995 110.449 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 27' ' ' SER . 7.7 mm -85.22 108.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.283 -1.006 . . . . 73.230000000000004 108.283 175.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -92.42 126.69 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.323 -0.399 . . . . 73.510000000000005 111.167 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 34.9 tp -80.26 110.16 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.539 -0.541 . . . . 65.109999999999999 109.539 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.547 HD11 ' HB ' ' A' ' 60' ' ' THR . 85.7 mt -88.87 -43.48 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.215 0.531 . . . . 70.230000000000004 110.233 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.599 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 63.2 tt0 -114.09 131.92 56.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.544 -0.753 . . . . 73.140000000000001 109.358 -177.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--N 1.317 -0.818 0 CA-C-O 121.453 0.644 . . . . 51.520000000000003 111.608 -176.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.4 p . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 112.372 0.508 . . . . 73.530000000000001 112.372 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.86 86.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.003 0.43 . . . . 54.229999999999997 110.247 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -79.9 -31.67 40.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 74.319999999999993 111.022 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 64.209999999999994 110.101 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 3' ' ' VAL . 67.0 t -61.18 -44.06 97.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 70.439999999999998 111.184 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 34.2 m-20 -61.64 -43.04 99.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.437 -0.579 . . . . 64.129999999999995 109.437 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.702 HD21 ' HB3' ' A' ' 42' ' ' LEU . 60.0 tp -63.41 -35.39 80.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.598 . . . . 61.119999999999997 109.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.693 HD22 HG22 ' A' ' 49' ' ' THR . 44.6 tp -60.69 -52.25 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 65.129999999999995 110.139 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 8' ' ' ASN . 30.8 m -67.27 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.472 -0.331 . . . . 54.539999999999999 110.959 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.575 ' HB3' HH21 ' A' ' 16' ' ' ARG . 42.5 mt-10 -61.93 -50.49 71.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 64.019999999999996 110.567 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -66.69 -40.81 88.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 60.509999999999998 110.924 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 10' ' ' LEU . 93.0 mt -60.26 -33.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 70.239999999999995 110.717 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 72.409999999999997 111.535 177.423 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' A' ' 12' ' ' GLU . 25.3 mtm-85 -88.21 -25.69 22.76 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.573 0.953 . . . . 73.310000000000002 113.573 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -97.25 -16.54 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.217 -0.302 . . . . 71.329999999999998 111.1 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.56 21.68 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.844 -0.693 . . . . 52.539999999999999 112.891 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -125.4 155.53 40.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.55 -0.537 . . . . 62.450000000000003 109.55 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -85.94 133.73 33.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.501 . . . . 72.540000000000006 111.273 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -87.04 -175.18 5.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.524 -0.762 . . . . 72.109999999999999 110.823 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -26.49 67.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 52.210000000000001 111.679 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.456 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t70 -79.17 -16.81 56.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 73.219999999999999 110.628 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.24 4.01 59.93 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.98 -0.629 . . . . 73.049999999999997 112.293 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 61.6 mttp -91.93 149.25 21.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.622 0.249 . . . . 71.299999999999997 110.401 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 15' ' ' HIS . 74.2 mt -77.26 144.48 38.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 71.230000000000004 110.528 176.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -143.22 141.8 31.2 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.583 -0.525 . . . . 74.109999999999999 109.583 174.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.92 137.28 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.723 -0.473 . . . . 75.010000000000005 109.723 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -74.29 129.07 37.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.991 0.424 . . . . 70.010000000000005 110.791 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 85.2 t80 -55.8 -41.5 74.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.276 -0.875 . . . . 74.540000000000006 111.766 -175.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.27 -39.8 93.05 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.862 -0.685 . . . . 73.430000000000007 112.514 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.06 -49.99 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.645 0.259 . . . . 74.530000000000001 110.403 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.36 -46.24 89.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.692 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.56 -47.99 81.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 74.530000000000001 110.817 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 ttm105 -67.55 -35.16 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.497 . . . . 65.530000000000001 110.589 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.04 -50.16 51.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 72.329999999999998 110.095 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.77 -44.95 90.77 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.879 -0.6 . . . . 73.099999999999994 111.564 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.946 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -66.73 -19.37 65.74 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.58 -0.448 . . . . 71.510000000000005 111.475 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -88.19 -34.75 17.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.002 0.43 . . . . 71.239999999999995 111.13 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.16 -30.46 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.181 0.437 . . . . 64.299999999999997 112.181 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 67.62 60.22 0.47 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.566 0.746 . . . . 44.109999999999999 110.109 -173.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.702 ' HB3' HD21 ' A' ' 9' ' ' LEU . 79.1 mt -81.87 -49.19 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.944 -1.025 . . . . 74.140000000000001 110.303 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.8 126.16 47.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.655 -0.702 . . . . 75.129999999999995 110.29 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.08 69.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.698 0.761 . . . . 74.329999999999998 109.132 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.26 84.23 2.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.866 . . . . 74.349999999999994 109.983 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.24 -48.4 81.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 53.119999999999997 110.921 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.96 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 75.530000000000001 110.632 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.36 96.9 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.966 -0.635 . . . . 53.520000000000003 112.166 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.693 HG22 HD22 ' A' ' 10' ' ' LEU . 32.0 m -63.26 -45.75 90.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.076 0.465 . . . . 75.219999999999999 110.522 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.57 -46.02 91.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.681 -0.69 . . . . 70.120000000000005 111.032 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -44.02 95.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 72.549999999999997 111.721 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -55.5 -52.12 64.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.923 -0.58 . . . . 73.530000000000001 111.042 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -72.33 -33.14 67.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 62.229999999999997 111.456 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.6 -38.53 87.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 74.450000000000003 110.43 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 19.3 mmt180 -76.16 -21.3 56.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.421 -0.354 . . . . 72.299999999999997 111.612 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.777 ' HB2' HG12 ' A' ' 58' ' ' ILE . 99.8 mtt180 -88.22 -0.01 56.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.573 0.225 . . . . 75.420000000000002 110.861 176.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 58.76 30.41 19.98 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.234 0.54 . . . . 61.229999999999997 110.756 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.777 HG12 ' HB2' ' A' ' 56' ' ' ARG . 33.9 mm -76.66 -45.1 33.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.47 -0.937 . . . . 73.409999999999997 108.47 173.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.71 166.74 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.036 -0.983 . . . . 63.43 109.792 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.436 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.8 t -145.52 148.2 32.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 60.329999999999998 110.323 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -162.2 133.5 3.83 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.558 -0.746 . . . . 75.040000000000006 109.899 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo . . . . . 0 N--CA 1.459 -0.501 0 C-N-CA 122.668 2.245 . . . . 65.549999999999997 112.157 -179.475 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 22.2 m80 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.602 0.239 . . . . 63.340000000000003 110.603 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.94 -39.32 68.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.739 -0.664 . . . . 74.200000000000003 111.553 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -96.18 -0.98 49.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.115 0.483 . . . . 75.010000000000005 111.159 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.19 121.93 27.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.074 0.464 . . . . 73.299999999999997 110.603 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.6 122.43 27.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.453 -0.794 . . . . 71.109999999999999 110.898 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.5 mm -85.66 112.79 22.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.395 -0.965 . . . . 50.310000000000002 108.395 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.9 mt -92.43 130.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.073 0.463 . . . . 60.409999999999997 111.843 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -85.45 113.33 21.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.354 -0.839 . . . . 74.209999999999994 109.928 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.436 HD11 ' HB ' ' A' ' 60' ' ' THR . 91.2 mt -86.16 -42.09 14.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.375 -0.375 . . . . 61.329999999999998 110.41 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -117.68 132.26 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 73.420000000000002 109.707 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--N 1.322 -0.587 0 CA-C-O 121.128 0.489 . . . . 62.109999999999999 110.372 -178.228 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 7' ' ' VAL . 13.3 p . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.579 0.228 . . . . 74.209999999999994 111.483 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.08 -44.14 94.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 62.009999999999998 110.471 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -79.62 -27.05 41.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 72.409999999999997 111.157 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.64 -29.8 70.42 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.864 -0.421 . . . . 72.150000000000006 109.864 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 53' ' ' ALA . 95.8 t -65.32 -42.03 92.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.135 -0.484 . . . . 61.439999999999998 110.205 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' O ' HG22 ' A' ' 11' ' ' VAL . 54.6 t30 -66.55 -31.87 72.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.305 0.574 . . . . 71.430000000000007 110.298 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 42' ' ' LEU . 67.2 tp -69.06 -43.55 74.42 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.519 -0.548 . . . . 74.510000000000005 109.519 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.455 HD22 HG22 ' A' ' 49' ' ' THR . 56.4 tp -56.76 -47.12 80.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.302 -0.863 . . . . 63.43 111.172 178.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 7' ' ' VAL . 18.9 m -66.43 -34.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 64.530000000000001 111.101 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -41.86 98.11 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.77 -0.456 . . . . 74.0 109.77 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 41.9 mm-40 -61.15 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.858 -0.61 . . . . 75.319999999999993 110.162 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -68.5 -34.32 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 62.030000000000001 110.836 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.745 ' HA ' HD13 ' A' ' 26' ' ' LEU . 33.0 m80 -60.15 -36.11 76.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.156 0.503 . . . . 72.430000000000007 110.478 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 16' ' ' ARG . 24.6 ttm105 -86.67 -47.42 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.776 . . . . 72.140000000000001 111.855 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.6 -22.81 22.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 71.430000000000007 111.775 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.6 164.38 29.11 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.695 -0.764 . . . . 70.230000000000004 112.722 -174.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -121.83 150.23 42.21 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.89 -0.411 . . . . 62.450000000000003 109.89 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -78.07 123.77 27.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.219 0.533 . . . . 62.350000000000001 111.051 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.06 -172.22 1.03 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.19 -0.914 . . . . 62.119999999999997 111.072 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -29.2 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 75.510000000000005 111.903 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -86.82 -13.48 44.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.355 0.597 . . . . 74.329999999999998 110.955 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.7 6.54 59.45 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.617 -0.802 . . . . 62.409999999999997 112.194 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -83.69 130.06 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.995 -0.372 . . . . 73.219999999999999 109.995 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 15' ' ' HIS . 44.7 mt -75.98 127.15 32.38 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.066 -0.515 . . . . 74.129999999999995 110.793 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.4 p -129.66 145.05 51.54 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 110.314 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.88 138.41 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.607 -0.724 . . . . 73.420000000000002 109.561 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.585 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 91.8 mttt -67.65 134.0 50.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.097 0.475 . . . . 72.420000000000002 110.577 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 50' ' ' LEU . 28.6 t80 -60.0 -26.37 66.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.288 -0.869 . . . . 62.439999999999998 110.597 -178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.52 -36.61 93.42 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.588 -0.815 . . . . 75.329999999999998 112.031 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -76.45 -47.81 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.894 0.378 . . . . 34.340000000000003 110.376 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.99 -46.08 89.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.749 -0.659 . . . . 65.420000000000002 110.286 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 86.5 t80 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 72.230000000000004 110.41 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -59.88 -46.69 88.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 73.140000000000001 111.053 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.03 -38.75 82.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 74.230000000000004 111.212 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.2 -31.15 70.47 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.769 -0.372 . . . . 55.140000000000001 110.653 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 26.8 mmmt -56.48 -24.72 47.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.024 -0.422 . . . . 73.109999999999999 111.329 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -88.48 -22.85 23.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.244 0.461 . . . . 42.549999999999997 112.244 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.53 -34.6 3.58 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.679 0.622 . . . . 74.230000000000004 112.679 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 48.01 70.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.578 0.704 . . . . 74.519999999999996 110.513 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HB3' HD21 ' A' ' 9' ' ' LEU . 92.1 mt -80.79 -29.72 36.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.099 -0.955 . . . . 74.030000000000001 108.873 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 46' ' ' LEU . 21.6 m-85 -108.0 124.85 50.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.605 -1.18 . . . . 75.409999999999997 109.196 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.3 -37.91 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 72.239999999999995 109.568 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.43 86.61 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.596 -0.729 . . . . 73.140000000000001 109.561 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 43' ' ' PHE . 44.5 tp -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 54.420000000000002 111.519 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 62.5 t -65.94 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 55.210000000000001 109.95 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.1 -41.87 52.91 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.799 -0.637 . . . . 73.329999999999998 111.926 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.455 HG22 HD22 ' A' ' 10' ' ' LEU . 7.0 m -59.32 -38.66 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.938 0.399 . . . . 62.200000000000003 110.465 176.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 30' ' ' PHE . 90.0 mt -61.49 -41.9 97.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.931 -0.577 . . . . 51.109999999999999 110.832 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 33.7 mmtm -56.2 -48.87 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 74.219999999999999 110.634 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.97 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.832 -0.622 . . . . 74.430000000000007 111.418 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.585 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -71.47 -38.29 71.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.828 -0.624 . . . . 72.010000000000005 111.648 -175.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.598 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 84.6 tttt -63.14 -42.8 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 73.400000000000006 110.242 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 9.0 mmt85 -77.78 -14.84 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 71.319999999999993 111.253 -177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HB2' HG12 ' A' ' 58' ' ' ILE . 90.4 mtt180 -91.95 4.02 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 43.32 110.942 173.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.16 25.04 15.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.117 0.485 . . . . 73.340000000000003 111.045 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.614 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.1 mm -78.42 -44.18 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.973 -0.751 . . . . 62.200000000000003 108.973 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.5 m -136.04 163.66 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.294 -0.867 . . . . 73.329999999999998 109.797 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.529 ' HB ' HD11 ' A' ' 79' ' ' LEU . 11.1 t -142.54 147.99 36.84 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.846 0.355 . . . . 60.130000000000003 110.071 174.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.598 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 14.2 p90 -159.05 145.93 12.81 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.555 -0.535 . . . . 73.129999999999995 109.555 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 74' ' ' VAL . 32.1 Cg_exo . . . . . 0 C--O 1.233 0.268 0 C-N-CA 122.877 2.385 . . . . 73.400000000000006 112.448 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.401 ' CG ' ' HD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 111.745 0.276 . . . . 63.439999999999998 111.745 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 8.7 p-10 -71.13 -31.45 67.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.219 0.451 . . . . 43.43 112.219 -169.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 17.6 t70 -94.36 1.85 55.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.086 0.469 . . . . 74.5 110.889 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 62' ' ' PRO . 21.1 t -75.11 114.74 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 70.340000000000003 110.577 -177.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.69 117.75 21.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.62 0.247 . . . . 75.409999999999997 110.412 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.12 108.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.885 -1.154 . . . . 70.219999999999999 107.885 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.7 mt -96.02 124.77 48.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.248 0.547 . . . . 75.430000000000007 111.444 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.97 111.17 16.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.216 -0.902 . . . . 75.200000000000003 109.595 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.529 HD11 ' HB ' ' A' ' 60' ' ' THR . 78.0 mt -86.46 -38.67 17.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.93 -0.577 . . . . 74.319999999999993 110.499 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -102.67 131.22 49.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.149 -0.478 . . . . 72.140000000000001 109.735 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.5 t0 . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 108.94 -0.763 . . . . 73.340000000000003 108.94 177.256 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.608 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 111.62 0.23 . . . . 75.200000000000003 111.62 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.45 -41.06 88.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.168 0.508 . . . . 72.019999999999996 110.659 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -79.75 -26.64 40.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.885 -0.598 . . . . 63.530000000000001 110.123 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 5.3 mm-40 -66.81 -29.71 69.72 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.786 -0.45 . . . . 74.109999999999999 109.786 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 3' ' ' VAL . 46.2 t -64.72 -37.61 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.232 0.539 . . . . 71.530000000000001 109.792 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 41.2 t-20 -64.35 -37.75 88.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.898 -0.778 . . . . 65.349999999999994 108.898 174.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 60.0 tp -63.64 -39.25 93.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.73 -0.668 . . . . 74.409999999999997 109.558 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 50' ' ' LEU . 61.0 tp -60.68 -50.64 72.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.389 -0.823 . . . . 74.109999999999999 111.122 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 14' ' ' ILE . 16.5 m -66.15 -29.55 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 70.140000000000001 111.304 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 46.0 mt-10 -61.97 -43.18 99.37 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-O 120.823 0.345 . . . . 62.539999999999999 110.217 174.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.12 -35.01 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 55.439999999999998 111.012 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 11' ' ' VAL . 85.8 mt -63.02 -37.02 78.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.312 0.577 . . . . 72.25 109.904 174.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -70.58 -30.41 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.797 -0.638 . . . . 74.010000000000005 111.426 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -84.67 -44.5 13.36 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.101 0.408 . . . . 71.5 112.101 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD12 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -105.06 -2.61 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.693 0.256 . . . . 73.219999999999999 111.693 -175.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.01 -176.82 24.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.513 -0.851 . . . . 44.0 112.89 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -144.32 156.6 44.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.608 -0.515 . . . . 34.030000000000001 109.608 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -83.9 135.99 34.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.322 0.582 . . . . 72.120000000000005 111.41 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -87.93 -176.04 5.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.231 -0.895 . . . . 64.140000000000001 110.242 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -14.34 62.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.396 . . . . 63.310000000000002 112.068 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -87.65 -13.63 42.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.967 0.413 . . . . 71.129999999999995 110.343 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.51 3.79 61.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 55.0 111.96 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -96.97 148.44 22.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.765 0.317 . . . . 72.040000000000006 110.54 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.76 146.64 47.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.168 0.509 . . . . 51.200000000000003 110.357 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -143.23 142.09 31.29 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.875 -0.787 . . . . 64.25 108.875 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 33' ' ' LEU . 7.1 p -139.87 142.23 32.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 110.15 -0.315 . . . . 63.329999999999998 110.15 -177.413 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HB2' HG23 ' A' ' 32' ' ' VAL . 74.9 mmtt -72.46 131.02 42.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.016 0.436 . . . . 73.329999999999998 110.51 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.686 ' HD2' ' HB3' ' A' ' 71' ' ' HIS . 65.5 t80 -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.23 -0.896 . . . . 71.019999999999996 110.333 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.658 ' HA3' ' HA ' ' A' ' 72' ' ' ASP . . . -58.82 -36.22 86.02 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.569 -0.741 . . . . 62.439999999999998 112.555 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.609 HG23 ' HB2' ' A' ' 29' ' ' LYS . 58.3 t -71.1 -48.03 57.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.818 -0.438 . . . . 74.420000000000002 109.818 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD23 HD12 ' A' ' 17' ' ' LEU . 20.9 mt -62.44 -47.61 83.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.604 -0.725 . . . . 75.109999999999999 111.272 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.87 -40.05 94.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.304 -0.407 . . . . 72.239999999999995 110.884 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -69.38 -51.71 34.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.134 -0.484 . . . . 70.299999999999997 111.344 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.52 -37.55 80.12 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.795 0.331 . . . . 74.439999999999998 110.513 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.29 -49.08 75.42 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.091 -0.504 . . . . 74.329999999999998 111.348 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 34.4 mmtm -69.73 -13.92 62.53 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.615 -0.434 . . . . 73.540000000000006 111.248 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 t -87.9 -25.19 23.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.917 0.389 . . . . 63.509999999999998 110.911 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.32 -30.68 9.0 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.916 0.389 . . . . 74.140000000000001 111.797 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 69.94 51.36 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.171 0.988 . . . . 52.329999999999998 110.892 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -82.28 -48.71 10.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.249 -0.887 . . . . 74.25 109.902 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -118.14 98.24 6.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.59 -0.732 . . . . 74.099999999999994 109.318 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.12 -46.48 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.505 -0.554 . . . . 73.510000000000005 109.505 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.16 84.1 1.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.915 -0.584 . . . . 70.120000000000005 110.077 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.64 -39.6 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.625 . . . . 71.120000000000005 110.377 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 51.3 t -63.43 -39.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.777 -0.647 . . . . 71.109999999999999 110.627 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.45 86.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.774 -0.727 . . . . 52.219999999999999 112.163 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -58.72 -38.66 78.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 65.319999999999993 110.876 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 10' ' ' LEU . 88.5 mt -64.84 -44.52 89.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.082 -0.508 . . . . 75.319999999999993 111.283 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 14.2 mmmm -63.36 -39.48 94.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.618 0.247 . . . . 73.129999999999995 110.428 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -51.78 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.412 0.625 . . . . 62.219999999999999 110.509 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -73.62 -27.7 61.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.457 -0.792 . . . . 64.140000000000001 111.607 -177.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 59.8 tttm -72.3 -34.29 68.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.85 0.357 . . . . 74.140000000000001 110.215 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.96 -27.45 60.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 73.010000000000005 110.459 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -89.11 1.91 54.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.25 -0.432 . . . . 75.310000000000002 110.387 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 51.64 37.14 19.15 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 115.445 -0.798 . . . . 71.040000000000006 111.89 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 63.0 mt -82.52 -37.26 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 114.792 -1.094 . . . . 63.399999999999999 108.412 171.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -131.41 160.9 42.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.04 -0.982 . . . . 73.519999999999996 109.606 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.2 t -145.31 147.25 32.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 74.430000000000007 110.271 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 12.9 p90 -160.66 155.65 20.79 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.637 -0.875 . . . . 64.109999999999999 108.637 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--N 1.343 0.243 0 C-N-CA 122.351 2.034 . . . . 64.540000000000006 113.221 -175.707 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.686 ' HB3' ' HD2' ' A' ' 30' ' ' PHE . 39.8 m80 . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.009 0.374 . . . . 75.319999999999993 112.009 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.658 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 20.9 t70 -60.07 -38.51 83.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.047 0.758 . . . . 75.120000000000005 113.047 -168.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.431 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 23.5 t0 -97.3 6.67 47.97 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.32 -0.552 . . . . 74.540000000000006 111.668 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.24 116.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 50.140000000000001 110.271 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.28 116.39 22.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 63.030000000000001 110.708 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.8 mm -86.26 108.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.975 -1.12 . . . . 72.420000000000002 107.975 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -94.01 128.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 72.329999999999998 111.028 -173.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.2 tp -85.3 110.55 19.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.813 -0.631 . . . . 64.340000000000003 109.963 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.92 -42.39 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.252 0.549 . . . . 74.420000000000002 110.184 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.555 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 47.8 tt0 -108.7 130.94 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.391 -0.822 . . . . 70.120000000000005 108.983 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 46.7 t0 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 121.131 0.491 . . . . 43.299999999999997 110.341 -177.103 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.8 p . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.988 0.736 . . . . 63.219999999999999 112.988 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.58 -36.8 83.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.893 0.378 . . . . 70.420000000000002 110.632 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -67.98 -40.01 83.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 73.030000000000001 110.463 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.09 -42.28 80.42 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.458 0.474 . . . . 60.210000000000001 110.201 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 3' ' ' VAL . 94.0 t -60.07 -47.17 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 115.994 -0.548 . . . . 72.450000000000003 111.419 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.7 t30 -70.56 -37.55 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 73.030000000000001 110.103 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 42' ' ' LEU . 66.3 tp -60.07 -40.35 89.2 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.433 -0.58 . . . . 74.420000000000002 109.433 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 49' ' ' THR . 53.3 tp -57.85 -51.48 69.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.451 -0.795 . . . . 63.32 110.946 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 8' ' ' ASN . 19.6 m -66.42 -30.19 49.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.421 -0.354 . . . . 74.319999999999993 111.329 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 43.5 mt-10 -67.8 -45.15 75.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.926 0.393 . . . . 73.219999999999999 110.216 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 30.6 mm-40 -64.83 -37.77 88.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.997 -0.547 . . . . 73.439999999999998 111.205 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 10' ' ' LEU . 77.6 mt -63.82 -33.65 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 61.119999999999997 110.11 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -63.78 -39.88 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.519999999999996 111.637 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' OE1' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -87.24 -36.62 17.85 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.913 0.338 . . . . 74.239999999999995 111.913 -177.002 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.5 tp -93.43 -18.96 21.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.074 0.398 . . . . 61.409999999999997 112.074 -170.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.05 -171.56 32.57 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.478 -0.868 . . . . 71.25 113.151 -174.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -143.49 155.69 44.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.628 -0.878 . . . . 74.409999999999997 108.628 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -83.57 134.97 34.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.437 0.637 . . . . 54.299999999999997 111.481 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.26 178.0 8.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.091 -0.959 . . . . 64.329999999999998 110.324 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.27 -13.56 62.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.228 0.537 . . . . 73.439999999999998 110.254 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.61 -18.32 54.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.448 -0.796 . . . . 71.219999999999999 109.485 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.46 65.41 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.792 -0.64 . . . . 73.129999999999995 112.253 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 55.5 mttp -98.88 151.76 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.769 -0.253 . . . . 65.540000000000006 111.039 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.52 146.48 46.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 53.439999999999998 110.718 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 30.6 t -144.25 152.5 40.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.777 -0.453 . . . . 64.109999999999999 109.777 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.84 141.65 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.952 -0.299 . . . . 61.409999999999997 111.064 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 3.1 mmmp? -62.28 136.55 57.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.562 0.22 . . . . 71.519999999999996 110.786 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.28 -42.59 77.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.502 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.481 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -62.54 -35.55 91.94 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.734 -0.667 . . . . 62.219999999999999 112.987 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 29' ' ' LYS . 76.9 t -69.45 -47.8 70.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.907 0.384 . . . . 73.310000000000002 110.39 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.3 tt -62.36 -45.76 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 63.229999999999997 109.725 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.549 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 54.3 t80 -60.88 -45.13 95.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 75.209999999999994 110.663 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -58.87 -50.8 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 73.329999999999998 111.653 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.91 -38.41 79.55 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.094 -0.336 . . . . 75.530000000000001 110.094 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.15 -49.79 70.92 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.4 -0.364 . . . . 64.420000000000002 110.848 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 28.2 mtpp -57.1 -14.03 3.5 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.874 0.694 . . . . 73.239999999999995 112.874 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -65.59 -37.0 85.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 72.129999999999995 110.145 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.85 -17.82 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 25.129999999999999 111.087 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 53.32 68.99 0.75 Allowed 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.916 0.865 . . . . 71.109999999999999 109.81 -170.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.1 mt -80.39 -35.76 34.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.422 -1.263 . . . . 73.329999999999998 109.515 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -97.8 114.54 26.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.441 -0.799 . . . . 74.409999999999997 109.764 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.93 -44.59 91.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 65.340000000000003 109.857 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.7 95.2 3.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.302 -0.863 . . . . 61.219999999999999 109.776 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 54.4 tp -57.65 -37.83 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 72.450000000000003 111.305 -176.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.06 -42.59 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 61.109999999999999 110.692 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.23 -42.32 94.29 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.156 -0.545 . . . . 72.120000000000005 111.902 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.62 HG22 HD22 ' A' ' 10' ' ' LEU . 8.8 m -57.24 -40.93 78.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.931 0.396 . . . . 71.109999999999999 110.728 175.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.7 mt -65.02 -45.6 84.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.003 -0.544 . . . . 75.299999999999997 110.491 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -53.69 -45.72 70.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.04 -0.527 . . . . 73.230000000000004 111.013 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.01 73.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.715 -0.675 . . . . 42.109999999999999 111.474 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -26.93 61.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.077 -0.51 . . . . 61.549999999999997 111.734 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 63.2 tttm -70.36 -38.75 74.85 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 74.209999999999994 110.458 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -72.77 -26.59 61.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.75 0.309 . . . . 54.149999999999999 110.925 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.07 3.03 40.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 75.010000000000005 110.489 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 58.91 28.87 18.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.639 -0.71 . . . . 71.129999999999995 111.452 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.688 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.9 mt -85.2 -36.54 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.35 -0.841 . . . . 74.530000000000001 109.843 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.53 161.37 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.189 -0.459 . . . . 64.150000000000006 110.225 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.638 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.1 t -141.93 147.67 37.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.15 0.5 . . . . 73.349999999999994 110.503 175.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.467 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 5.0 p90 -161.77 140.91 7.42 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.569 -0.901 . . . . 62.200000000000003 108.569 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.732 ' HD2' HG13 ' A' ' 74' ' ' VAL . 73.9 Cg_exo . . . . . 0 C--N 1.347 0.465 0 C-N-CA 122.802 2.334 . . . . 73.209999999999994 112.835 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 N-CA-C 111.697 0.258 . . . . 71.239999999999995 111.697 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.481 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 3.7 t70 -54.78 -32.52 60.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.114 0.483 . . . . 72.239999999999995 111.502 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.549 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.0 p-10 -85.64 8.5 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 75.129999999999995 111.207 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.732 HG13 ' HD2' ' A' ' 62' ' ' PRO . 40.6 t -82.9 125.65 40.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.177 0.513 . . . . 73.109999999999999 109.902 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 33.9 m-20 -91.09 126.17 36.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.583 -0.735 . . . . 74.549999999999997 109.99 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -85.77 108.54 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.77 -0.826 . . . . 75.340000000000003 108.77 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -94.41 129.73 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.231 -0.44 . . . . 65.230000000000004 110.976 -174.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 27.5 tp -81.87 110.77 17.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.645 -0.707 . . . . 64.219999999999999 109.557 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.638 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.6 mt -89.77 -29.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.292 -0.413 . . . . 72.530000000000001 110.966 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.688 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -128.55 131.9 48.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.352 -0.61 . . . . 72.409999999999997 109.352 -175.804 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 t0 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.238 0.542 . . . . 74.5 111.598 -174.285 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.0 p . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.58 -0.526 . . . . 64.450000000000003 109.58 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.33 -38.3 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.753 -0.658 . . . . 75.530000000000001 110.386 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -72.71 -33.62 66.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 72.230000000000004 109.654 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.33 -38.43 91.02 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.068 -0.515 . . . . 71.219999999999999 110.143 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.5 t -63.41 -42.12 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 73.430000000000007 110.939 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.22 -31.78 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.348 0.594 . . . . 72.439999999999998 110.154 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 42' ' ' LEU . 63.8 tp -71.0 -39.43 72.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.842 -0.617 . . . . 73.430000000000007 109.603 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.673 HD22 HG22 ' A' ' 49' ' ' THR . 58.7 tp -57.56 -51.8 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.529 -0.76 . . . . 74.099999999999994 110.548 178.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.553 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 27.8 m -61.13 -35.35 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 65.340000000000003 110.745 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -45.54 86.25 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.94 0.4 . . . . 74.010000000000005 110.218 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' HB3' HD21 ' A' ' 33' ' ' LEU . 51.8 mm-40 -64.39 -30.86 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 70.209999999999994 111.245 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 10' ' ' LEU . 78.2 mt -69.0 -34.12 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.829 0.347 . . . . 72.340000000000003 110.116 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 33.5 m-70 -70.63 -34.03 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.958 0.409 . . . . 71.219999999999999 110.601 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -81.36 -49.21 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.656 0.613 . . . . 65.340000000000003 112.656 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD12 HD22 ' A' ' 33' ' ' LEU . 88.9 mt -101.27 -12.05 19.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.787 0.327 . . . . 70.219999999999999 111.141 -174.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.44 159.81 26.36 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.612 -0.804 . . . . 74.439999999999998 112.924 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -120.64 157.41 29.63 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.022 -1.103 . . . . 51.299999999999997 108.022 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -76.41 135.99 39.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.245 1.021 . . . . 73.239999999999995 111.833 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 9.6 t-20 -72.61 -177.67 2.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.118 -1.855 . . . . 63.420000000000002 110.416 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.29 -24.79 59.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.768 0.794 . . . . 71.150000000000006 109.256 173.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -80.47 -17.12 52.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.526 -1.216 . . . . 64.129999999999995 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.76 2.25 61.41 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.841 -0.695 . . . . 71.340000000000003 111.932 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 62.5 mttp -88.96 141.42 28.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.615 -0.292 . . . . 71.120000000000005 110.561 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 14' ' ' ILE . 4.0 mm? -66.33 136.44 55.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.019 -0.363 . . . . 72.349999999999994 110.019 175.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 m -143.31 142.03 31.18 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.781 0.324 . . . . 64.439999999999998 110.365 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.75 137.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.146 -0.479 . . . . 62.009999999999998 109.799 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.99 137.27 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.88 -0.328 . . . . 65.230000000000004 110.211 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.2 t80 -52.64 -37.52 58.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 63.439999999999998 111.202 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.2 95.11 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.13 -0.557 . . . . 31.420000000000002 112.81 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.77 -44.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 72.120000000000005 110.421 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 17' ' ' LEU . 2.2 tm? -63.06 -46.31 88.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 74.129999999999995 110.113 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.581 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 52.3 t80 -64.23 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 70.230000000000004 110.284 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -57.19 -48.09 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 71.420000000000002 110.949 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -36.82 76.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.882 -0.599 . . . . 74.150000000000006 110.508 -175.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.54 -31.62 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.140000000000001 110.896 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 57.1 mtpt -66.17 -26.64 67.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.369 . . . . 55.329999999999998 110.706 176.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m -87.84 -47.35 8.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 73.030000000000001 111.144 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.14 -30.07 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.185 0.439 . . . . 60.240000000000002 112.185 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 61.55 57.64 2.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.38 0.609 . . . . 61.020000000000003 110.405 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.828 ' HB3' HD21 ' A' ' 9' ' ' LEU . 97.0 mt -82.3 -46.78 13.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 73.030000000000001 111.31 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CD2' HD13 ' A' ' 46' ' ' LEU . 70.4 m-85 -95.28 123.06 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 72.109999999999999 110.856 -173.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -71.85 -34.24 69.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 109.783 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.78 84.35 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 72.400000000000006 110.332 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.502 HD23 ' HD1' ' A' ' 34' ' ' PHE . 46.3 tp -61.7 -41.74 98.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.739 0.304 . . . . 73.030000000000001 111.424 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.08 -36.24 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 74.299999999999997 110.265 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -38.0 76.49 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.971 -0.633 . . . . 41.130000000000003 111.64 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.673 HG22 HD22 ' A' ' 10' ' ' LEU . 6.6 m -58.56 -45.63 88.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.024 0.44 . . . . 64.540000000000006 110.183 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.31 -51.32 69.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.563 -0.744 . . . . 72.319999999999993 110.811 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 26.8 mmmt -56.26 -48.34 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 72.329999999999998 111.22 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 56' ' ' ARG . . . -57.58 -53.6 56.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.65 . . . . 61.149999999999999 111.404 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -68.3 -38.43 81.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.088 -0.506 . . . . 74.400000000000006 111.928 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 80.9 tttt -63.35 -46.74 85.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.958 0.408 . . . . 75.420000000000002 110.314 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 17.9 mmt180 -76.78 -15.21 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.08 -0.509 . . . . 65.329999999999998 111.365 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.66 ' HD3' HD11 ' A' ' 58' ' ' ILE . 11.9 ttt180 -90.25 1.69 56.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.269 -0.423 . . . . 74.140000000000001 110.165 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.04 28.34 12.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.26 -0.882 . . . . 64.409999999999997 111.244 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.78 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 83.6 mt -91.92 -36.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.231 -0.895 . . . . 71.409999999999997 110.229 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 m -137.52 163.19 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.27 -0.423 . . . . 65.209999999999994 109.876 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.654 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.2 t -140.11 146.5 38.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.85 -0.426 . . . . 60.229999999999997 109.85 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -166.87 147.42 5.07 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.566 -0.743 . . . . 71.049999999999997 109.409 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo . . . . . 0 C--O 1.235 0.329 0 C-N-CA 122.538 2.159 . . . . 74.519999999999996 111.683 177.503 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.2 t60 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 111.313 0.116 . . . . 73.120000000000005 111.313 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.81 -38.36 78.44 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.292 0.479 . . . . 72.129999999999995 112.292 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -91.75 1.91 56.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 61.130000000000003 111.092 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.34 125.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.148 -0.478 . . . . 74.530000000000001 110.608 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -84.28 120.14 25.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.438 -0.801 . . . . 74.030000000000001 110.359 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.44 116.9 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.858 -0.793 . . . . 72.519999999999996 108.858 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.47 128.82 52.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.82 0.343 . . . . 64.450000000000003 111.274 -173.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -80.35 122.51 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 64.310000000000002 110.364 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.654 HD11 ' HB ' ' A' ' 60' ' ' THR . 92.3 mt -99.4 -36.62 9.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 62.439999999999998 110.573 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.78 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 6.0 tt0 -127.9 133.54 49.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.822 -0.626 . . . . 72.239999999999995 109.768 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.3 t0 . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.32 -0.622 . . . . 72.200000000000003 109.32 177.1 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 112.704 0.631 . . . . 63.009999999999998 112.704 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.58 -48.39 77.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.43 0.633 . . . . 73.420000000000002 109.729 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.04 -37.2 78.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.212 -0.903 . . . . 75.519999999999996 110.776 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 3' ' ' VAL . 4.7 mm-40 -58.31 -41.94 85.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 62.229999999999997 110.278 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 3' ' ' VAL . 61.2 t -62.69 -47.4 93.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 110.518 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -60.08 -41.92 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 64.409999999999997 110.023 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -62.12 -45.28 94.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.614 -0.721 . . . . 74.140000000000001 110.458 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.575 HD21 HD23 ' A' ' 50' ' ' LEU . 56.1 tp -56.75 -47.74 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 71.299999999999997 110.122 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.5 -42.61 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.495 -0.775 . . . . 75.319999999999993 110.949 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.444 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 43.7 mt-10 -60.08 -49.5 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 74.230000000000004 110.963 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 58.9 mm-40 -61.22 -45.65 93.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 73.010000000000005 111.115 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' A' ' 78' ' ' LEU . 67.0 mt -63.91 -33.87 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 64.310000000000002 110.437 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.705 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.2 t-80 -67.32 -42.69 83.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 110.935 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' NH2' ' HB3' ' A' ' 12' ' ' GLU . 7.1 ptp85 -86.38 -38.12 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.261 0.467 . . . . 73.329999999999998 112.261 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -87.98 -10.79 49.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 64.420000000000002 111.21 -175.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.48 -175.29 26.11 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.736 -0.745 . . . . 33.210000000000001 112.801 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.4 t -145.47 148.84 33.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.802 -0.814 . . . . 55.200000000000003 108.802 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 63.2 mttm -80.84 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.313 0.578 . . . . 71.409999999999997 111.283 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -81.42 -170.74 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.962 -1.017 . . . . 62.009999999999998 110.951 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.52 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 71.319999999999993 111.819 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -84.49 -15.66 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 75.230000000000004 110.045 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.69 8.29 58.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.917 -0.659 . . . . 65.030000000000001 112.168 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 47.4 mmtm -98.63 147.04 25.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.041 0.448 . . . . 71.319999999999993 110.277 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.705 HD13 ' HA ' ' A' ' 15' ' ' HIS . 40.7 mt -80.08 144.93 32.71 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.742 -0.663 . . . . 75.019999999999996 109.984 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.0 m -143.29 142.25 31.28 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 110.148 -0.315 . . . . 74.25 110.148 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 14' ' ' ILE . 8.0 p -146.53 137.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.011 -0.737 . . . . 62.130000000000003 109.011 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -77.12 144.14 38.66 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.534 -0.467 . . . . 72.25 110.751 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . 86.6 t80 -51.89 -42.05 62.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.134 -0.939 . . . . 75.200000000000003 111.759 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -33.83 87.76 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.237 -0.506 . . . . 50.109999999999999 112.869 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.61 -46.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 72.530000000000001 110.481 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.59 -43.26 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.629 . . . . 71.150000000000006 109.821 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -62.83 -30.41 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 74.209999999999994 111.196 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.01 -48.09 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.977 0.418 . . . . 73.230000000000004 110.684 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.41 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.51 -38.89 88.99 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.021 -0.536 . . . . 74.049999999999997 111.558 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 38' ' ' LYS . 6.1 tmtt? -55.85 -40.29 72.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 62.020000000000003 110.428 -177.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.2 t -71.16 -41.9 69.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.036 -0.529 . . . . 73.219999999999999 111.861 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.88 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.028 0.381 . . . . 64.310000000000002 112.028 -173.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 57.76 63.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.55 0.69 . . . . 74.040000000000006 109.88 -171.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.4 -48.56 12.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.088 -0.96 . . . . 55.25 109.24 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CD2' HD13 ' A' ' 46' ' ' LEU . 33.6 m-85 -100.07 102.6 13.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.609 -0.723 . . . . 74.510000000000005 109.678 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.12 -40.32 76.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.429 0.633 . . . . 73.019999999999996 109.822 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.46 84.62 2.23 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.306 -0.861 . . . . 71.140000000000001 109.32 172.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 43' ' ' PHE . 34.7 tp -56.92 -37.81 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.727 -0.669 . . . . 73.329999999999998 110.777 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.2 p -63.61 -31.11 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 72.409999999999997 110.848 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.61 -45.83 43.08 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.914 -0.66 . . . . 61.43 111.687 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD22 ' A' ' 10' ' ' LEU . 5.5 m -58.07 -44.57 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 73.430000000000007 110.553 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.575 HD23 HD21 ' A' ' 10' ' ' LEU . 96.5 mt -60.47 -47.03 87.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.226 -0.443 . . . . 53.210000000000001 110.39 176.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 51' ' ' LYS . 9.2 tppt? -53.99 -46.87 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.891 -0.595 . . . . 73.420000000000002 110.832 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.92 -53.49 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 74.319999999999993 111.114 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -71.07 -32.91 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.913 -0.585 . . . . 65.140000000000001 111.61 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 87.0 tttt -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.0 0.428 . . . . 72.340000000000003 110.696 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -77.07 -13.66 59.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.131 -0.486 . . . . 64.040000000000006 110.935 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -93.07 -0.29 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 71.140000000000001 110.83 170.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 62.13 30.12 17.71 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.919 -0.582 . . . . 74.129999999999995 111.589 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.515 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 62.7 mt -85.61 -39.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.08 -0.711 . . . . 65.209999999999994 109.08 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 29.6 m -131.69 169.1 22.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.147 -0.933 . . . . 74.150000000000006 109.607 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -151.04 147.31 26.96 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.562 -0.533 . . . . 52.049999999999997 109.562 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 10.6 p90 -157.29 133.52 6.14 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.012 0.434 . . . . 62.140000000000001 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 16.2 Cg_exo . . . . . 0 C--O 1.235 0.356 0 C-N-CA 123.466 2.777 . . . . 61.240000000000002 112.587 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 120.81 0.338 . . . . 60.130000000000003 111.828 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.459 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 1.1 m-20 -68.01 -14.6 63.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.493 0.663 . . . . 74.019999999999996 109.904 175.144 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.64 4.42 52.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.491 -0.777 . . . . 71.420000000000002 110.084 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -78.77 130.9 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 52.32 110.451 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.51 119.88 21.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.462 -0.79 . . . . 73.030000000000001 110.666 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mm -89.48 112.88 25.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.383 -0.969 . . . . 65.519999999999996 108.383 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.13 127.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.942 0.401 . . . . 74.319999999999993 111.195 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.652 HD23 HD12 ' A' ' 26' ' ' LEU . 44.6 tp -89.84 110.68 21.59 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.313 -0.625 . . . . 74.310000000000002 109.313 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.87 -42.24 18.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.006 -0.543 . . . . 71.420000000000002 110.541 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 46.6 mt-30 -104.2 131.1 51.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 72.439999999999998 110.827 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 116.157 -0.474 . . . . 64.109999999999999 109.795 175.091 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.7 p . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 113.846 1.054 . . . . 73.439999999999998 113.846 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.49 -29.47 64.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.774 0.321 . . . . 74.340000000000003 111.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -80.43 -43.95 20.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.297 0.48 . . . . 74.420000000000002 112.297 -178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 3' ' ' VAL . 1.3 pm0 -63.07 -28.61 70.2 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 120.239 -0.584 . . . . 60.509999999999998 111.041 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 3' ' ' VAL . 97.0 t -62.18 -44.65 99.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 120.73 0.3 . . . . 73.409999999999997 110.397 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -68.38 -36.06 78.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.087 0.47 . . . . 60.100000000000001 110.237 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.674 HD21 ' HB3' ' A' ' 42' ' ' LEU . 63.9 tp -63.18 -43.71 97.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 70.409999999999997 110.036 176.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.536 HD22 HG22 ' A' ' 49' ' ' THR . 54.2 tp -57.64 -52.28 66.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.475 -0.784 . . . . 54.539999999999999 110.869 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.15 -30.02 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 73.450000000000003 111.434 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.85 -40.35 75.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.944 -0.391 . . . . 65.030000000000001 109.944 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 53.0 mm-40 -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.47 -0.332 . . . . 62.340000000000003 111.055 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.6 mt -62.84 -34.35 65.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.004 0.43 . . . . 74.409999999999997 110.191 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -70.63 -32.01 69.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 62.399999999999999 111.147 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB3' HD12 ' A' ' 17' ' ' LEU . 25.1 ttm-85 -82.24 -48.57 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 65.319999999999993 111.589 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 16' ' ' ARG . 7.6 mp -91.92 -27.33 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 72.430000000000007 111.155 -175.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 28' ' ' VAL . . . -82.41 171.76 51.82 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.975 -0.631 . . . . 70.409999999999997 112.994 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 t -134.9 157.17 47.55 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.204 -0.665 . . . . 71.310000000000002 109.204 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 mttp -77.13 134.27 38.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.307 0.575 . . . . 63.130000000000003 110.594 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -87.56 -174.45 4.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.959 -1.019 . . . . 74.319999999999993 110.264 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.4 62.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.389 -0.369 . . . . 74.129999999999995 111.719 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -89.33 -17.02 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 71.040000000000006 110.245 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 5.77 59.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.859 -0.686 . . . . 63.310000000000002 112.537 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 48.4 mttm -91.7 151.92 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.743 -0.466 . . . . 64.439999999999998 109.743 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.31 135.61 42.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 74.030000000000001 110.257 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.1 m -143.21 142.63 31.48 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 60.020000000000003 109.85 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 18' ' ' GLY . 7.1 p -142.84 137.47 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.246 -0.434 . . . . 70.109999999999999 110.221 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.814 ' HD2' ' HA ' ' A' ' 73' ' ' ASP . 14.7 mtmt -62.59 126.07 26.07 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.772 0.32 . . . . 73.150000000000006 110.215 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.7 t80 -53.21 -38.9 63.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.569 -0.741 . . . . 73.329999999999998 110.895 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.28 66.68 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.991 -0.623 . . . . 71.219999999999999 112.901 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.45 -48.2 27.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 72.129999999999995 110.293 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -39.16 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 61.43 110.282 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.472 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 33.6 t80 -62.57 -38.18 89.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.609 -0.723 . . . . 74.209999999999994 110.616 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -71.28 -39.99 71.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 75.030000000000001 110.708 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.09 -48.29 79.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 72.209999999999994 110.534 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.83 -33.91 73.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 75.5 111.702 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HE3' ' CE2' ' A' ' 34' ' ' PHE . 90.0 mttt -58.14 -25.72 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 72.25 111.645 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 t -87.63 -37.67 16.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.632 0.253 . . . . 73.329999999999998 111.097 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -32.93 12.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.422 0.527 . . . . 75.200000000000003 112.422 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 66.06 44.03 2.77 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.319 0.581 . . . . 71.420000000000002 110.794 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.674 ' HB3' HD21 ' A' ' 9' ' ' LEU . 89.0 mt -80.6 -44.07 19.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.856 . . . . 74.129999999999995 110.159 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.18 95.76 8.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 71.109999999999999 109.655 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.2 -48.78 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.852 -0.613 . . . . 72.340000000000003 110.434 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.37 87.76 2.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.707 -0.679 . . . . 75.109999999999999 109.445 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 48.0 tp -57.93 -40.88 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 63.420000000000002 110.998 -175.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.2 p -61.53 -37.91 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.493 -0.321 . . . . 51.420000000000002 110.338 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.78 -41.85 87.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.031 -0.604 . . . . 63.109999999999999 111.796 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.536 HG22 HD22 ' A' ' 10' ' ' LEU . 17.2 m -62.03 -41.06 97.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.993 0.425 . . . . 72.040000000000006 110.419 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' HE1' ' A' ' 30' ' ' PHE . 94.8 mt -62.86 -47.48 83.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 74.120000000000005 110.609 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 30.7 mmmt -59.28 -41.07 88.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.408 -0.36 . . . . 75.340000000000003 110.703 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.48 88.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.409999999999997 111.392 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.47 53.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 55.5 111.129 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.5 tttt -68.0 -37.08 81.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.279 0.562 . . . . 64.150000000000006 109.691 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.27 -34.68 75.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.5 -0.773 . . . . 73.209999999999994 110.789 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.05 9.48 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.209999999999994 111.474 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 63.74 23.78 13.6 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.87 -0.605 . . . . 74.540000000000006 110.832 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.699 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.8 mt -85.43 -42.55 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.862 -0.608 . . . . 73.439999999999998 110.633 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.39 160.85 42.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.342 -0.39 . . . . 75.129999999999995 110.294 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.643 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.2 t -134.31 146.75 50.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.02 0.438 . . . . 74.109999999999999 110.317 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 11.8 p90 -164.1 134.78 3.34 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.542 -0.754 . . . . 62.409999999999997 109.293 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 5.4 Cg_exo . . . . . 0 N--CA 1.456 -0.69 0 C-N-CA 122.544 2.163 . . . . 75.319999999999993 111.705 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.55 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.0 m80 . . . . . 0 CA--C 1.519 -0.243 0 N-CA-C 112.035 0.383 . . . . 73.439999999999998 112.035 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.87 -39.18 93.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 73.420000000000002 110.897 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.814 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 8.1 t70 -96.0 8.84 42.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.525 . . . . 75.329999999999998 110.965 -176.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.5 t -87.57 115.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 52.039999999999999 110.308 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.9 125.32 29.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.115 -0.493 . . . . 72.030000000000001 110.26 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.44 116.91 29.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.532 -0.914 . . . . 74.319999999999993 108.532 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.43 130.18 46.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 60.210000000000001 111.407 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.6 tp -80.44 122.32 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.637 -0.71 . . . . 74.030000000000001 110.099 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.643 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.7 mt -96.74 -39.13 9.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.058 0.456 . . . . 73.129999999999995 110.576 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.699 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -122.3 131.72 54.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.164 -0.68 . . . . 63.340000000000003 109.164 -177.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.458 . . . . 65.219999999999999 112.02 -174.031 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.1 p . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 112.004 0.372 . . . . 74.310000000000002 112.004 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.91 -28.69 69.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.558 -0.292 . . . . 71.540000000000006 111.551 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -80.8 -41.24 23.67 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.321 -0.992 . . . . 71.5 108.321 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -41.3 92.55 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.311 -1.313 . . . . 61.219999999999999 110.89 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 3' ' ' VAL . 96.6 t -63.91 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 60.030000000000001 110.67 176.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.47 ' HA ' HG22 ' A' ' 11' ' ' VAL . 89.2 m-20 -69.4 -28.25 66.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 74.409999999999997 110.562 177.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.0 tp -69.98 -42.28 73.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.289 0.566 . . . . 74.510000000000005 109.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.533 HD22 HG22 ' A' ' 49' ' ' THR . 56.0 tp -57.1 -49.44 75.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.287 -0.87 . . . . 74.409999999999997 110.782 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 8' ' ' ASN . 30.0 m -65.52 -34.98 74.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.012 -0.275 . . . . 65.019999999999996 111.353 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.13 -40.8 98.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.887 -0.412 . . . . 75.099999999999994 109.887 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -66.14 -35.46 80.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.64 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' LEU . 76.1 mt -66.89 -34.17 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.018 0.437 . . . . 72.319999999999993 110.236 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.458 ' HA ' HD13 ' A' ' 26' ' ' LEU . 54.0 m80 -70.45 -31.05 68.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.96 0.41 . . . . 74.0 110.483 173.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -79.87 -48.94 12.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 64.200000000000003 111.825 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 HG12 ' A' ' 32' ' ' VAL . 81.7 mt -105.34 -3.09 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.969 0.414 . . . . 63.100000000000001 111.206 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.48 154.37 24.1 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.6 -0.809 . . . . 64.439999999999998 112.901 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -120.67 156.21 32.21 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.952 -0.759 . . . . 74.010000000000005 108.952 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -84.9 132.32 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.257 0.551 . . . . 55.240000000000002 111.539 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -81.04 173.78 12.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 72.209999999999994 109.543 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.58 -16.21 64.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.167 0.508 . . . . 73.540000000000006 110.52 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -78.57 -14.79 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.583 -0.735 . . . . 72.450000000000003 110.656 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.48 12.46 57.1 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.619 -0.801 . . . . 61.32 112.879 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -112.55 152.0 29.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 61.409999999999997 110.758 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 15' ' ' HIS . 72.2 mt -80.07 139.7 36.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 61.140000000000001 110.593 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.402 ' OG ' HG12 ' A' ' 77' ' ' ILE . 69.5 m -143.88 143.46 31.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.051 -0.522 . . . . 65.219999999999999 111.074 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.23 138.04 37.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.442 -0.799 . . . . 73.120000000000005 109.23 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' HG23 ' A' ' 32' ' ' VAL . 66.4 mttm -70.97 139.5 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.98 0.419 . . . . 72.120000000000005 111.013 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 88.8 t80 -53.91 -38.59 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 75.209999999999994 110.804 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.7 -26.73 67.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.233 -0.508 . . . . 55.439999999999998 112.917 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 29' ' ' LYS . 54.9 t -76.37 -48.5 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.472 -0.566 . . . . 74.310000000000002 109.472 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.25 -46.0 85.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.586 -0.734 . . . . 64.439999999999998 111.085 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.505 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 15.0 t80 -61.97 -32.93 73.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 72.0 110.439 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 35' ' ' ARG . 4.8 tpt85 -65.43 -52.98 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.578 -0.737 . . . . 65.430000000000007 110.984 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.19 -35.9 74.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.462 -0.335 . . . . 74.140000000000001 110.498 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.04 -39.89 93.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.454 -0.339 . . . . 74.129999999999995 111.289 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 77.2 mttt -70.4 -18.63 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.045 0.45 . . . . 73.230000000000004 110.993 178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 61.219999999999999 111.16 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.0 -23.25 15.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.525 0.565 . . . . 75.030000000000001 112.525 -173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 62.45 55.72 2.23 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.311 0.577 . . . . 74.409999999999997 110.574 -176.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -81.28 -41.0 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.402 -0.817 . . . . 71.109999999999999 110.314 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -113.8 99.36 7.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.789 -0.641 . . . . 75.230000000000004 109.484 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.46 -29.27 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 63.039999999999999 110.505 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.6 83.45 2.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 61.530000000000001 109.611 170.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -39.19 88.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 73.140000000000001 110.814 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 48.8 t -58.48 -43.01 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.975 -0.557 . . . . 55.219999999999999 110.435 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.16 -44.12 94.48 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.138 -0.553 . . . . 73.0 112.237 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.533 HG22 HD22 ' A' ' 10' ' ' LEU . 8.6 m -59.68 -40.36 87.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 61.439999999999998 110.674 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.97 -46.51 81.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.133 -0.485 . . . . 64.319999999999993 110.844 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 68.1 mmtt -55.51 -48.87 73.96 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.377 -0.374 . . . . 74.329999999999998 110.244 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.32 -53.36 57.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 75.540000000000006 111.17 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.9 -38.34 79.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.677 -0.692 . . . . 73.010000000000005 111.621 -176.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 82.9 tttt -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.908 0.385 . . . . 71.409999999999997 110.469 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 23.5 mmt85 -70.49 -25.97 63.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 70.329999999999998 110.54 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.673 ' HB3' HG12 ' A' ' 58' ' ' ILE . 27.5 ttt180 -85.15 1.05 49.69 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.984 -0.553 . . . . 65.340000000000003 110.276 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 63.12 25.55 14.95 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.642 -0.708 . . . . 74.340000000000003 111.491 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.673 HG12 ' HB3' ' A' ' 56' ' ' ARG . 36.2 mm -78.3 -43.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.032 -0.729 . . . . 72.519999999999996 109.032 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG12 HD12 ' A' ' 78' ' ' LEU . 31.3 m -132.67 170.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.2 -0.909 . . . . 72.319999999999993 110.317 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.642 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.1 t -146.47 150.94 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.563 -0.532 . . . . 74.319999999999993 109.563 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.518 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 9.8 p90 -162.03 141.92 7.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.082 -0.508 . . . . 72.099999999999994 109.862 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo . . . . . 0 C--O 1.235 0.356 0 C-N-CA 122.497 2.131 . . . . 75.25 111.617 176.219 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.455 ' CE1' ' HD2' ' A' ' 61' ' ' TYR . 3.0 t-80 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.986 0.422 . . . . 54.229999999999997 110.394 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -67.9 -36.5 80.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.829 0.677 . . . . 60.210000000000001 112.829 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.48 -7.13 59.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 44.399999999999999 110.033 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.8 t -76.92 132.88 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.54 -0.755 . . . . 73.140000000000001 110.87 -178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -83.44 129.23 34.98 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.047 -0.979 . . . . 74.409999999999997 110.648 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.11 116.34 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.958 -0.756 . . . . 74.030000000000001 108.958 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.402 HG12 ' OG ' ' A' ' 27' ' ' SER . 55.7 mt -99.34 130.86 47.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.308 -0.405 . . . . 74.319999999999993 111.461 -171.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.41 HD12 HG12 ' A' ' 59' ' ' VAL . 35.3 tp -84.16 121.1 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 73.219999999999999 110.284 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.642 HD11 ' HB ' ' A' ' 60' ' ' THR . 93.3 mt -94.97 -43.91 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 73.150000000000006 111.106 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.493 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 46.5 mt-30 -107.97 132.01 53.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.264 -0.426 . . . . 73.409999999999997 110.196 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 . . . . . 0 C--N 1.32 -0.717 0 CA-C-O 121.444 0.64 . . . . 64.430000000000007 110.056 177.855 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.764 0.316 . . . . 70.099999999999994 111.057 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -41.87 92.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 64.510000000000005 110.681 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -76.46 -28.29 56.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.849 -0.614 . . . . 73.109999999999999 110.905 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.19 -31.64 64.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.306 . . . . 65.219999999999999 111.152 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 3' ' ' VAL . 73.7 t -63.15 -49.16 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.788 -0.187 . . . . 52.409999999999997 111.124 178.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.512 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.9 p-10 -72.21 -30.92 65.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.578 -0.449 . . . . 62.109999999999999 110.116 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 42' ' ' LEU . 56.6 tp -60.98 -43.63 98.55 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.572 -0.529 . . . . 75.510000000000005 109.572 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 49' ' ' THR . 57.8 tp -56.54 -51.1 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.372 -0.831 . . . . 63.32 110.91 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 8' ' ' ASN . 3.5 m -66.57 -30.95 51.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 64.319999999999993 110.757 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mt-10 -72.36 -37.1 68.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.952 -0.299 . . . . 71.420000000000002 110.884 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -63.98 -36.88 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.703 -0.48 . . . . 72.209999999999994 109.703 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 10' ' ' LEU . 71.0 mt -66.33 -32.84 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 73.340000000000003 110.18 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 24.7 m170 -59.06 -35.38 73.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.901 0.382 . . . . 75.439999999999998 110.681 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -86.63 -48.59 8.18 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.078 0.399 . . . . 72.299999999999997 112.078 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -94.59 -3.11 50.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.192 0.442 . . . . 64.329999999999998 112.192 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.62 133.6 11.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.647 -0.787 . . . . 74.319999999999993 113.389 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -96.49 145.78 25.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.008 -0.738 . . . . 55.439999999999998 109.008 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -78.24 129.96 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.423 0.63 . . . . 61.229999999999997 112.37 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -87.66 177.9 6.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.173 -0.921 . . . . 71.420000000000002 109.258 171.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.56 -17.1 62.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 73.25 111.245 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB3' ' HG3' ' A' ' 25' ' ' LYS . 1.2 m-20 -78.87 -16.89 56.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.72 -0.673 . . . . 73.400000000000006 111.612 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.07 2.88 88.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.454 -1.059 . . . . 40.340000000000003 110.454 -167.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 65.0 mttp -83.71 152.8 24.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.461 -0.57 . . . . 75.409999999999997 109.461 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -97.09 125.29 41.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.969 0.414 . . . . 75.450000000000003 110.772 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.439 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 12.2 t -115.38 142.99 45.95 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.262 -0.644 . . . . 52.32 109.262 175.29 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.96 138.02 44.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 C-N-CA 120.153 -0.619 . . . . 72.109999999999999 110.332 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.639 ' HB2' HG23 ' A' ' 32' ' ' VAL . 73.5 mmtt -64.38 135.56 56.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.948 0.404 . . . . 74.420000000000002 110.352 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -56.7 -38.82 72.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 73.150000000000006 109.962 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.52 90.5 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.848 -0.691 . . . . 62.329999999999998 111.947 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' A' ' 29' ' ' LYS . 50.6 t -62.35 -46.37 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.122 0.487 . . . . 74.349999999999994 110.296 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -46.42 79.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.382 -0.827 . . . . 64.340000000000003 110.407 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -68.29 -38.88 82.11 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.318 -0.401 . . . . 74.230000000000004 111.24 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -71.48 -29.41 64.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.674 0.273 . . . . 64.400000000000006 111.028 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.79 -47.26 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.274 -0.639 . . . . 75.209999999999994 109.274 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.49 -31.16 71.72 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.185 0.517 . . . . 72.430000000000007 110.652 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -56.64 -34.0 66.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.135 0.493 . . . . 71.319999999999993 110.445 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.0 m -88.99 -34.5 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.912 -0.586 . . . . 70.019999999999996 112.277 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.46 -34.72 9.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.87 0.693 . . . . 54.219999999999999 112.87 -172.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 53.89 65.45 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.419 0.628 . . . . 43.100000000000001 111.123 -172.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 9' ' ' LEU . 88.3 mt -81.91 -31.54 31.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.266 -0.879 . . . . 74.530000000000001 109.427 177.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -113.76 121.03 42.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.416 -0.811 . . . . 72.439999999999998 109.926 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.58 -41.51 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.258 0.551 . . . . 75.219999999999999 110.025 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.9 86.85 2.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.427 -0.806 . . . . 70.230000000000004 109.622 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.85 -38.39 82.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.905 -0.589 . . . . 54.439999999999998 110.328 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 47.8 t -62.31 -32.74 55.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 72.040000000000006 110.487 177.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 -46.64 23.4 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 73.329999999999998 112.173 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.545 HG22 HD22 ' A' ' 10' ' ' LEU . 6.9 m -59.43 -44.8 92.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 61.200000000000003 110.761 176.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.478 HD23 HD21 ' A' ' 10' ' ' LEU . 95.2 mt -61.39 -35.29 77.09 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.395 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 6.8 tppt? -67.83 -44.38 77.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.867 -0.606 . . . . 72.310000000000002 110.689 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.18 86.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 65.530000000000001 111.073 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.72 -28.7 60.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.728 -0.669 . . . . 42.509999999999998 111.582 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 89.0 tttt -69.95 -35.85 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.113 0.482 . . . . 61.140000000000001 109.805 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -64.46 -35.92 82.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.939 -0.573 . . . . 55.439999999999998 110.771 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 99.6 mtt180 -89.04 7.54 34.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 111.591 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 56' ' ' ARG . 6.0 mptt 58.63 23.78 11.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.203 0.601 . . . . 74.200000000000003 111.069 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.727 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 90.3 mt -73.8 -42.25 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.148 -0.933 . . . . 64.299999999999997 108.852 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.7 m -135.31 159.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.291 -0.868 . . . . 53.329999999999998 109.559 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.0 t -138.06 147.54 44.17 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.468 -0.567 . . . . 65.409999999999997 109.468 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 28.2 p90 -159.89 135.61 6.03 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 115.764 -0.653 . . . . 74.030000000000001 109.701 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 4.2 Cg_exo . . . . . 0 N--CA 1.457 -0.639 0 C-N-CA 122.847 2.364 . . . . 64.239999999999995 111.357 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 120.25 0.072 . . . . 74.239999999999995 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.39 -40.36 59.1 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.229 0.826 . . . . 61.340000000000003 113.229 -170.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -95.49 9.01 41.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.989 0.423 . . . . 61.240000000000002 111.86 -170.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.6 121.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.091 -0.381 . . . . 75.310000000000002 110.133 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 2.5 m-20 -78.96 122.52 26.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 74.219999999999999 110.643 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.99 108.84 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.192 -1.04 . . . . 65.329999999999998 108.192 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.1 mt -96.58 121.79 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 41.340000000000003 111.426 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' HA ' HG12 ' A' ' 59' ' ' VAL . 8.7 tt -82.61 113.49 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 54.020000000000003 109.632 175.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.499 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.8 mt -89.6 -42.18 11.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.75 -0.659 . . . . 65.409999999999997 110.724 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.727 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 28.6 tt0 -121.05 131.22 54.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 74.200000000000003 109.587 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.319 -0.755 0 N-CA-C 109.472 -0.566 . . . . 72.400000000000006 109.472 -179.43 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 7' ' ' VAL . 7.4 p . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 111.73 0.27 . . . . 63.149999999999999 111.73 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -62.9 -46.21 88.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.112 0.482 . . . . 70.129999999999995 110.386 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -69.52 -32.75 71.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.99 -0.55 . . . . 61.219999999999999 110.437 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.38 -29.52 69.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 70.230000000000004 110.973 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 3' ' ' VAL . 86.4 t -61.96 -45.24 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.988 0.423 . . . . 65.409999999999997 110.535 174.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -66.48 -31.03 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 60.119999999999997 110.486 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 42' ' ' LEU . 58.2 tp -68.2 -41.55 81.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.511 -0.552 . . . . 74.200000000000003 109.511 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 49' ' ' THR . 43.0 tp -58.61 -52.03 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 62.32 110.825 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.1 -31.03 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.349999999999994 111.039 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.722 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 4.8 mm-40 -69.75 -49.78 49.8 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.358 -0.383 . . . . 62.32 111.079 176.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.02 -40.87 95.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 74.219999999999999 110.906 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.618 HG23 HG12 ' A' ' 28' ' ' VAL . 93.5 mt -59.55 -51.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 74.5 111.126 178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 1.036 ' HB2' HD13 ' A' ' 26' ' ' LEU . 4.7 p80 -71.54 -30.94 66.48 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.586 -0.445 . . . . 75.349999999999994 111.157 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -78.32 -41.45 33.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 73.409999999999997 111.735 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.86 -21.03 26.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 74.519999999999996 111.06 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.13 -165.83 40.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.687 -0.768 . . . . 73.010000000000005 113.932 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p -142.98 158.1 43.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.13 -0.535 . . . . 52.130000000000003 109.843 -176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 45.1 mtmt -77.88 136.01 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 74.349999999999994 111.655 -178.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -86.12 171.19 11.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.123 -0.944 . . . . 63.130000000000003 108.818 170.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.6 -21.05 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.36 0.6 . . . . 72.430000000000007 110.996 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 16.4 t70 -77.97 -15.15 59.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 71.420000000000002 110.413 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.27 -1.46 67.16 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.858 -0.687 . . . . 42.350000000000001 112.232 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 53.2 mttp -85.23 151.04 24.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.351 . . . . 65.219999999999999 110.491 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.036 HD13 ' HB2' ' A' ' 15' ' ' HIS . 14.2 mt -95.58 118.69 32.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.889 -0.596 . . . . 74.140000000000001 110.312 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -122.29 144.78 48.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.415 -0.357 . . . . 73.340000000000003 110.843 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 14' ' ' ILE . 14.4 p -139.74 145.93 25.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.232 -0.44 . . . . 72.150000000000006 110.292 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 12.3 mttt -65.37 135.57 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.542 -0.299 . . . . 60.350000000000001 110.87 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' HE1' HD11 ' A' ' 50' ' ' LEU . 88.3 t80 -56.61 -41.75 77.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.019 -0.537 . . . . 61.25 110.777 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.532 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -61.1 -32.61 81.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.127 -0.558 . . . . 61.240000000000002 112.453 -178.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.7 t -68.2 -51.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 74.099999999999994 110.338 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD21 ' HE2' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -64.56 -42.33 95.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.64 . . . . 70.109999999999999 110.127 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 37.9 t80 -60.33 -41.12 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 74.420000000000002 110.583 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 36' ' ' ASP . 9.9 ttp180 -64.76 -51.83 60.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.314 0.578 . . . . 71.510000000000005 110.984 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' A' ' 35' ' ' ARG . 1.4 m-20 -69.93 -36.78 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.522 -0.763 . . . . 74.540000000000006 112.137 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.19 -36.99 84.53 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.552 -0.459 . . . . 75.400000000000006 110.689 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 84.4 mttt -59.49 -25.08 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.97 0.414 . . . . 63.119999999999997 111.158 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -83.24 -29.84 28.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.003 -0.544 . . . . 74.310000000000002 111.735 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.54 -25.92 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.283 0.475 . . . . 73.519999999999996 112.283 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 59.29 60.59 2.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.589 0.709 . . . . 71.230000000000004 110.167 -174.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.7 mt -80.63 -35.87 33.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.083 -0.962 . . . . 63.25 109.635 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' HE2' HD21 ' A' ' 33' ' ' LEU . 54.2 m-85 -101.14 129.29 47.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.166 -0.925 . . . . 74.25 109.437 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.34 -53.44 16.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.536 -0.913 . . . . 74.409999999999997 108.536 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.98 85.12 2.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.404 -0.816 . . . . 61.310000000000002 109.863 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 65.9 tp -54.32 -44.36 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 74.209999999999994 111.245 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.66 -35.2 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.339 . . . . 45.130000000000003 110.758 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.49 62.91 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.903 -0.665 . . . . 65.140000000000001 111.973 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.637 HG22 HD22 ' A' ' 10' ' ' LEU . 13.7 m -60.79 -40.5 92.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.848 0.356 . . . . 65.329999999999998 110.278 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.0 mt -62.2 -49.37 76.05 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.906 -0.588 . . . . 72.239999999999995 110.536 176.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 50.6 mmtt -55.48 -48.99 73.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.78 -0.645 . . . . 71.430000000000007 111.147 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 73.439999999999998 111.7 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -70.71 -30.44 67.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 72.109999999999999 111.365 -177.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.0 tttt -67.99 -41.3 82.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.934 -0.395 . . . . 62.020000000000003 109.934 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mmt180 -73.2 -23.67 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 72.430000000000007 111.048 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -85.13 3.47 38.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 63.420000000000002 110.605 175.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 63.55 25.03 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.908 -0.587 . . . . 72.420000000000002 110.71 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.426 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 56.7 mt -87.49 -36.21 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 44.549999999999997 110.285 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -135.84 161.88 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.475 -0.33 . . . . 73.120000000000005 110.198 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.751 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.8 t -139.58 147.04 40.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.99 0.424 . . . . 62.509999999999998 110.279 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.5 p90 -164.86 134.38 2.87 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 62.409999999999997 109.503 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.685 ' HD2' HG13 ' A' ' 74' ' ' VAL . 24.5 Cg_exo . . . . . 0 C--O 1.236 0.381 0 C-N-CA 122.817 2.345 . . . . 70.319999999999993 112.306 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 . . . . . 0 C--O 1.227 -0.119 0 CA-C-O 120.491 0.186 . . . . 73.120000000000005 111.389 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.532 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 16.7 t70 -55.02 -32.45 61.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.481 -0.327 . . . . 52.409999999999997 111.465 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.631 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 26.9 t70 -84.21 -3.16 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.4 0.619 . . . . 62.409999999999997 110.496 -175.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.685 HG13 ' HD2' ' A' ' 62' ' ' PRO . 94.4 t -83.52 121.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 52.25 109.883 176.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.75 127.78 39.64 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.103 -0.499 . . . . 72.5 109.972 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -86.43 109.26 18.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.716 -0.846 . . . . 75.530000000000001 108.716 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.0 mt -95.5 126.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.222 -0.444 . . . . 61.140000000000001 111.0 -173.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 tp -79.7 110.76 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 75.319999999999993 109.66 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.751 HD11 ' HB ' ' A' ' 60' ' ' THR . 90.9 mt -84.62 -36.44 22.0 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.922 -0.581 . . . . 73.25 110.741 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 60.5 tt0 -121.06 131.17 54.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 40.32 110.062 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.786 -0.45 . . . . 74.510000000000005 109.786 179.576 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.3 p . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.734 0.302 . . . . 72.400000000000006 111.646 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.07 -40.93 77.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 73.530000000000001 111.195 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.22 -39.3 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.691 -0.231 . . . . 61.32 110.694 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.87 -40.93 94.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 71.329999999999998 110.227 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 3' ' ' VAL . 55.5 t -62.59 -48.16 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.071 -0.513 . . . . 73.409999999999997 111.177 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.508 ' O ' HG22 ' A' ' 11' ' ' VAL . 84.4 m-20 -69.86 -27.82 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 62.520000000000003 110.473 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -67.04 -40.7 87.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.461 -0.57 . . . . 62.340000000000003 109.461 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.681 HD22 HG22 ' A' ' 49' ' ' THR . 50.7 tp -57.9 -49.16 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 74.319999999999993 110.999 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 8' ' ' ASN . 4.4 m -63.5 -33.39 61.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.889 -0.324 . . . . 64.030000000000001 110.458 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -65.13 -48.87 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.197 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 44.3 mm-40 -61.57 -40.01 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.909 -0.587 . . . . 54.240000000000002 110.982 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' LEU . 59.1 mt -68.18 -33.28 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 74.310000000000002 110.844 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -60.47 -41.64 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.837 0.351 . . . . 73.030000000000001 111.306 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.48 ' HD3' ' OE1' ' A' ' 12' ' ' GLU . 8.4 mtp-105 -86.9 -49.03 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.621 0.6 . . . . 60.219999999999999 112.621 -176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -82.68 -18.01 42.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.58 0.228 . . . . 73.230000000000004 111.507 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -81.22 162.37 44.08 Favored Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.88 -0.676 . . . . 70.25 112.866 -175.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.2 t -122.22 154.07 37.99 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.87 -0.789 . . . . 62.039999999999999 108.87 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -81.71 130.43 35.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.375 0.607 . . . . 75.099999999999994 111.125 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 p30 -87.89 -174.54 4.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.031 -0.986 . . . . 70.400000000000006 110.205 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.99 63.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 43.340000000000003 111.043 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.32 -14.95 59.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.749 -0.659 . . . . 61.240000000000002 110.692 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.58 18.06 34.09 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.884 -0.598 . . . . 71.010000000000005 112.907 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.25 166.18 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.876 0.37 . . . . 73.450000000000003 111.166 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.57 138.23 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 42.140000000000001 111.02 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 m -143.36 143.16 31.55 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.843 -0.617 . . . . 62.130000000000003 109.519 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 8.4 p -145.35 137.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.541 0.21 . . . . 64.319999999999993 110.556 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -63.05 128.87 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.628 -0.508 . . . . 63.439999999999998 109.628 174.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 66.2 t80 -54.94 -38.2 67.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 71.420000000000002 110.781 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.87 75.64 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.073 -0.584 . . . . 52.229999999999997 112.536 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.42 -47.61 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.051 0.453 . . . . 73.310000000000002 110.288 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' HE2' ' A' ' 43' ' ' PHE . 5.7 tt -65.74 -46.35 79.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.667 -0.697 . . . . 71.120000000000005 110.152 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HD1' HD13 ' A' ' 46' ' ' LEU . 81.3 t80 -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.52 . . . . 74.200000000000003 110.929 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.14 -44.29 96.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 72.430000000000007 110.567 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.17 -40.45 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 109.992 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.57 -49.45 77.74 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 116.135 -0.484 . . . . 64.230000000000004 111.049 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 26.9 mmtm -64.36 -13.66 51.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 70.319999999999993 111.773 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -87.02 -16.34 35.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.466 -0.334 . . . . 74.219999999999999 111.069 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 41' ' ' ASN . . . -120.45 -32.7 4.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.816 0.341 . . . . 71.209999999999994 111.804 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 6.9 m-20 72.83 56.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.804 0.842 . . . . 70.019999999999996 110.094 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -49.49 10.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.06 -0.973 . . . . 63.100000000000001 110.602 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HE2' HD21 ' A' ' 33' ' ' LEU . 71.7 m-85 -92.41 125.16 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.886 -0.597 . . . . 72.430000000000007 110.948 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -53.48 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.376 -0.972 . . . . 71.150000000000006 108.376 174.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.64 84.75 2.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.584 -0.735 . . . . 71.540000000000006 110.269 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.45 HD13 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tt -62.42 -45.65 92.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 74.530000000000001 110.181 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.92 -42.14 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 55.420000000000002 110.824 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.82 -35.71 91.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.833 -0.699 . . . . 75.430000000000007 111.674 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.681 HG22 HD22 ' A' ' 10' ' ' LEU . 91.7 m -66.44 -39.03 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 73.329999999999998 110.748 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 30' ' ' PHE . 92.5 mt -57.62 -48.64 78.86 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.084 -0.507 . . . . 63.039999999999999 110.592 176.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 2.3 mptm? -62.31 -43.96 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 61.340000000000003 110.907 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.99 79.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 72.310000000000002 111.641 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.44 -26.15 59.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 111.388 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -75.85 -33.06 60.0 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.878 -0.416 . . . . 72.439999999999998 109.878 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 92.8 mtt-85 -69.93 -29.91 67.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.343 -0.389 . . . . 65.540000000000006 110.543 175.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.634 ' HB2' HG12 ' A' ' 58' ' ' ILE . 94.7 mtt180 -84.56 -5.07 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 74.549999999999997 110.695 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.1 mttt 60.12 33.26 21.17 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.451 0.643 . . . . 73.230000000000004 110.466 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.634 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.4 mm -78.37 -45.52 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-N 115.182 -0.917 . . . . 73.409999999999997 108.914 175.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.76 163.19 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.264 -0.88 . . . . 43.020000000000003 110.405 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.4 t -139.27 147.64 41.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.121 0.486 . . . . 74.219999999999999 110.425 176.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 7.0 p90 -160.48 136.36 6.08 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.366 -0.834 . . . . 74.030000000000001 109.238 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 14.5 Cg_exo . . . . . 0 N--CA 1.464 -0.25 0 C-N-CA 122.991 2.461 . . . . 63.329999999999998 112.203 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.681 ' O ' HG12 ' A' ' 74' ' ' VAL . 3.3 p80 . . . . . 0 C--O 1.224 -0.255 0 N-CA-C 111.753 0.279 . . . . 74.329999999999998 111.753 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -68.34 -38.88 81.92 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.962 -0.461 . . . . 70.439999999999998 111.615 -171.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -103.66 9.36 37.3 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.839 -0.344 . . . . 75.5 110.941 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 71' ' ' HIS . 8.3 p -74.04 119.44 21.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 119.578 -0.849 . . . . 74.430000000000007 109.444 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.55 118.34 21.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.578 -0.737 . . . . 71.329999999999998 111.014 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.5 mm -85.74 108.07 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.031 -1.1 . . . . 75.129999999999995 108.031 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.79 128.91 45.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.162 -0.472 . . . . 75.030000000000001 110.951 -174.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.5 tp -81.83 110.43 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.622 -0.51 . . . . 61.299999999999997 109.622 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.644 HD11 ' HB ' ' A' ' 60' ' ' THR . 87.6 mt -87.56 -32.24 19.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 63.030000000000001 110.59 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -128.71 132.85 48.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.819 -0.628 . . . . 72.099999999999994 110.064 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 108.661 -0.866 . . . . 74.420000000000002 108.661 171.116 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.9 p . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 112.302 0.482 . . . . 61.200000000000003 112.302 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -39.69 91.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.874 0.369 . . . . 64.109999999999999 111.921 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -79.77 -29.34 40.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.845 0.355 . . . . 54.310000000000002 110.907 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -67.51 -28.95 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 72.510000000000005 110.108 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.6 t -57.41 -42.47 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.311 -0.404 . . . . 62.130000000000003 110.297 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 4.9 t30 -61.58 -41.53 97.54 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.663 -0.495 . . . . 65.319999999999993 109.663 176.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.17 -42.62 98.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.644 -0.707 . . . . 55.0 110.234 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.529 HD22 HG22 ' A' ' 49' ' ' THR . 57.0 tp -56.52 -47.02 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 72.400000000000006 110.032 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 7' ' ' VAL . 78.9 t -57.74 -42.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 73.420000000000002 111.223 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 41.1 mt-10 -61.5 -46.5 89.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.327 -0.397 . . . . 63.299999999999997 110.718 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.81 -36.9 85.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 71.329999999999998 111.068 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.1 mt -62.88 -33.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.983 0.42 . . . . 63.450000000000003 110.641 176.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-70 -64.03 -42.78 96.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.422 -0.354 . . . . 71.230000000000004 111.574 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HE ' ' HB3' ' A' ' 16' ' ' ARG . 2.1 ptp180 -86.12 -37.24 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.352 0.501 . . . . 63.409999999999997 112.352 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 16' ' ' ARG . 53.9 mt -94.22 -3.56 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 73.219999999999999 111.259 -175.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.69 174.68 15.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.505 -0.855 . . . . 42.539999999999999 113.188 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -137.61 157.68 45.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.772 0.429 . . . . 62.420000000000002 110.062 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -76.38 135.08 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 53.350000000000001 111.211 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -88.82 -171.27 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 74.129999999999995 110.541 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.17 -16.96 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.4 0.518 . . . . 71.109999999999999 112.4 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 27.4 t70 -90.58 -14.3 32.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.559 0.695 . . . . 43.119999999999997 110.314 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.2 63.46 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.584 -0.734 . . . . 74.409999999999997 112.083 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 54.6 mttp -84.8 158.38 20.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.36 -0.607 . . . . 71.299999999999997 109.36 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 15' ' ' HIS . 98.9 mt -84.75 144.53 28.44 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.853 0.359 . . . . 73.219999999999999 110.362 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 18.0 m -139.39 141.86 37.54 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.226 -0.657 . . . . 72.209999999999994 109.226 173.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.3 138.78 49.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.288 -0.415 . . . . 62.409999999999997 110.241 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.663 ' HB2' HG22 ' A' ' 32' ' ' VAL . 47.1 mmtm -65.82 136.79 56.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.754 -0.462 . . . . 74.340000000000003 109.754 176.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -61.6 -39.13 90.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.649 -0.705 . . . . 72.140000000000001 109.718 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -48.54 85.58 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.307 -0.861 . . . . 71.230000000000004 113.93 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 29' ' ' LYS . 33.7 m -68.8 -32.22 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 117.391 0.595 . . . . 75.430000000000007 111.311 -176.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 tt -73.61 -46.42 47.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.738 -0.468 . . . . 72.219999999999999 109.738 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.31 -36.33 83.33 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.151 0.5 . . . . 73.019999999999996 110.057 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -53.16 -51.24 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.739 . . . . 61.420000000000002 111.16 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.87 -38.58 76.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 74.409999999999997 110.288 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.44 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.533 . . . . 71.400000000000006 111.284 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -63.58 -31.99 73.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.954 0.406 . . . . 54.439999999999998 110.648 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.4 t -87.51 -45.5 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.123 -0.489 . . . . 43.219999999999999 111.352 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -27.95 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.329 0.492 . . . . 74.200000000000003 112.329 -174.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 56.59 66.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.205 0.526 . . . . 73.200000000000003 109.87 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.8 mt -80.43 -37.0 32.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.544 -0.753 . . . . 71.439999999999998 109.579 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -115.36 107.6 15.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.11 -0.95 . . . . 72.329999999999998 109.375 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.85 -29.91 65.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.205 0.526 . . . . 61.310000000000002 109.906 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.96 83.99 2.13 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.641 -0.709 . . . . 73.519999999999996 109.366 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.62 -46.79 83.67 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.412 -0.588 . . . . 75.329999999999998 109.412 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.707 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 46.5 t -56.22 -50.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.5 -0.773 . . . . 72.140000000000001 110.383 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.78 -38.07 93.39 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.054 -0.593 . . . . 71.109999999999999 112.511 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.529 HG22 HD22 ' A' ' 10' ' ' LEU . 18.9 m -65.16 -38.7 91.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.09 0.472 . . . . 63.219999999999999 110.461 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.96 -46.31 85.22 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 72.420000000000002 110.544 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 26.4 mmmt -59.78 -43.47 94.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 63.43 110.054 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.94 -53.46 57.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.855 -0.611 . . . . 62.32 111.477 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.756 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.75 -35.48 77.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 72.120000000000005 111.173 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.4 tttt -62.56 -43.25 99.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 70.140000000000001 110.385 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 49.5 mtp180 -73.6 -27.28 61.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 75.420000000000002 111.078 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.65 ' HB3' HG12 ' A' ' 58' ' ' ILE . 35.8 ttt180 -90.6 14.84 12.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 75.420000000000002 110.715 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER 51.89 25.56 3.12 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.983 0.913 . . . . 74.150000000000006 111.966 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.756 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 42.3 mm -76.67 -42.91 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.221 -0.659 . . . . 74.150000000000006 109.221 176.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 78' ' ' LEU . 28.2 m -137.63 170.25 17.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.028 -0.987 . . . . 43.030000000000001 109.745 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.496 ' HB ' HD11 ' A' ' 79' ' ' LEU . 7.3 t -148.89 152.45 36.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 109.939 174.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.3 p90 -161.77 135.85 5.02 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.207 -0.664 . . . . 62.43 109.207 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 34.8 Cg_exo . . . . . 0 C--O 1.236 0.4 0 C-N-CA 122.751 2.3 . . . . 72.120000000000005 111.799 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 m170 . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 121.16 0.505 . . . . 74.140000000000001 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.88 -38.48 56.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.092 -0.958 . . . . 72.010000000000005 112.1 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -87.1 5.66 36.57 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.931 0.345 . . . . 72.439999999999998 111.931 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.7 t -84.7 133.05 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 54.109999999999999 110.631 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.6 m-20 -83.9 119.42 24.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.534 -0.757 . . . . 73.120000000000005 109.935 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.2 mm -85.58 113.89 24.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.498 -0.927 . . . . 74.109999999999999 108.498 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -92.55 124.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.139 -0.482 . . . . 71.219999999999999 111.407 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.4 tp -80.2 111.11 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.416 -0.811 . . . . 74.439999999999998 109.423 176.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.576 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 96.7 mt -82.73 -42.34 18.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 71.299999999999997 110.464 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 51.5 mt-30 -112.86 130.79 55.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 64.430000000000007 110.294 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t0 . . . . . 0 C--N 1.319 -0.723 0 CA-C-N 115.978 -0.555 . . . . 72.329999999999998 109.962 177.813 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.7 p . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 111.855 0.317 . . . . 74.439999999999998 111.855 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.38 -35.11 78.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.285 0.564 . . . . 73.239999999999995 109.946 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.1 -35.47 56.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.676 -0.693 . . . . 73.540000000000006 110.405 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.33 -30.02 70.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.782 -0.19 . . . . 73.209999999999994 111.041 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 3' ' ' VAL . 92.3 t -61.83 -40.33 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 42.539999999999999 110.32 174.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HA ' HG22 ' A' ' 11' ' ' VAL . 65.6 m-20 -70.78 -29.37 65.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.107 0.48 . . . . 74.420000000000002 110.076 178.378 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 67.7 tp -71.33 -40.93 70.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.604 -0.517 . . . . 74.310000000000002 109.604 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 14' ' ' ILE . 53.4 tp -57.53 -52.26 66.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.76 -0.655 . . . . 74.420000000000002 110.637 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 8' ' ' ASN . 29.3 m -63.56 -30.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 54.329999999999998 111.219 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -48.03 74.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 74.239999999999995 109.85 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 4.6 mm-40 -65.85 -36.94 84.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.766 -0.652 . . . . 64.230000000000004 110.824 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 10' ' ' LEU . 70.5 mt -66.14 -32.2 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 73.430000000000007 110.422 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.72 -42.49 86.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.125 -0.23 . . . . 74.239999999999995 111.536 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.658 ' HG3' HD12 ' A' ' 17' ' ' LEU . 27.5 ptt85 -86.72 -39.43 16.01 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.442 0.534 . . . . 74.040000000000006 112.442 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' HG3' ' A' ' 16' ' ' ARG . 10.0 mp -86.1 -18.61 31.9 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.859 0.361 . . . . 61.43 111.269 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.03 137.39 31.69 Favored Glycine 0 N--CA 1.44 -1.083 0 CA-C-N 115.838 -0.619 . . . . 44.240000000000002 113.075 -174.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -99.26 155.61 17.41 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.806 -0.813 . . . . 60.229999999999997 108.806 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -76.7 123.39 26.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.477 0.656 . . . . 75.439999999999998 110.827 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -73.67 178.11 4.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.717 -1.129 . . . . 75.219999999999999 109.449 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.25 61.37 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.375 0.607 . . . . 72.049999999999997 110.229 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 21.9 t70 -93.47 -14.9 26.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.397 -0.819 . . . . 64.530000000000001 111.199 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 4.06 60.72 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.195 -1.002 . . . . 60.32 111.689 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 58.5 mttp -83.64 150.36 25.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.978 -0.379 . . . . 74.239999999999995 109.978 175.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.68 131.36 34.59 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.474 -0.565 . . . . 74.109999999999999 109.474 175.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -142.1 142.34 32.78 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 109.933 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.98 136.29 53.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.492 -0.322 . . . . 72.310000000000002 110.362 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 2.0 ttmm -73.24 139.78 46.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.505 -0.316 . . . . 70.150000000000006 110.629 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 72.1 t80 -56.92 -39.83 75.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 75.120000000000005 111.279 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.446 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -63.64 -41.27 99.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.805 -0.712 . . . . 71.040000000000006 112.431 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.87 -43.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.103 0.478 . . . . 64.420000000000002 110.246 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.86 -45.95 73.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 73.109999999999999 109.93 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.83 -42.16 97.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 64.209999999999994 111.433 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -66.45 -39.87 89.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.865 0.364 . . . . 63.009999999999998 110.786 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.95 -43.61 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.542 -0.54 . . . . 72.219999999999999 109.542 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.45 -53.46 47.96 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.894 -0.593 . . . . 61.109999999999999 111.24 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -56.87 -25.96 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.026 0.38 . . . . 75.120000000000005 112.026 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -66.76 -27.77 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 72.019999999999996 111.297 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.91 -22.21 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.106 0.479 . . . . 72.140000000000001 111.53 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 52.9 75.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.621 -1.172 . . . . 73.109999999999999 109.92 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -81.26 -42.41 20.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.441 -1.254 . . . . 74.400000000000006 109.435 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -90.12 115.34 27.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.189 -0.914 . . . . 70.409999999999997 109.662 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.4 -31.02 69.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.365 0.602 . . . . 63.420000000000002 109.798 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.93 83.82 2.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.656 -0.702 . . . . 53.530000000000001 109.606 172.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 58.9 tp -53.94 -48.46 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 73.400000000000006 111.678 -174.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 47.1 t -62.81 -39.48 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 62.030000000000001 110.568 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.45 -42.81 95.64 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.008 -0.542 . . . . 50.030000000000001 112.222 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD22 ' A' ' 10' ' ' LEU . 7.1 m -61.42 -41.09 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.428 . . . . 41.439999999999998 110.602 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 95.7 mt -61.97 -45.77 92.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.879 -0.6 . . . . 61.130000000000003 110.636 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 70.4 mmtt -58.19 -46.23 86.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.962 -0.563 . . . . 74.209999999999994 110.893 178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.65 88.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.120000000000005 111.667 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.51 -27.12 60.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.557 -0.292 . . . . 63.409999999999997 111.423 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.2 tttt -73.53 -34.29 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.591 -0.522 . . . . 75.140000000000001 109.591 176.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -68.43 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 73.099999999999994 110.91 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.18 6.77 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.374 -0.375 . . . . 75.010000000000005 111.325 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 9.8 mptt 59.59 26.29 15.3 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.099 0.56 . . . . 61.310000000000002 111.215 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.832 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.5 mt -80.75 -47.43 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 70.099999999999994 109.888 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG13 HG22 ' A' ' 58' ' ' ILE . 33.3 m -135.59 157.33 39.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.899 -0.591 . . . . 53.409999999999997 110.275 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -138.09 147.93 44.51 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.074 0.464 . . . . 64.019999999999996 109.788 172.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.703 ' HB3' HG13 ' A' ' 76' ' ' ILE . 20.8 p90 -142.6 136.17 14.33 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.643 -0.708 . . . . 75.310000000000002 109.656 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 36.2 Cg_exo . . . . . 0 N--CA 1.461 -0.383 0 C-N-CA 122.63 2.22 . . . . 65.040000000000006 111.502 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 9.0 t-80 . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.852 0.358 . . . . 72.099999999999994 110.409 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 4.2 t70 -63.83 -39.3 93.91 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.876 0.695 . . . . 64.540000000000006 112.876 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.564 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 p-10 -93.29 9.24 37.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.726 0.298 . . . . 74.0 111.759 -174.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.64 124.57 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.824 0.345 . . . . 75.409999999999997 110.375 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.8 m-20 -90.83 136.05 33.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 74.219999999999999 111.308 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.703 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mp -96.45 120.37 45.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.691 -0.855 . . . . 55.039999999999999 108.691 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.09 132.34 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 74.439999999999998 111.325 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.43 115.89 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.852 -0.613 . . . . 73.430000000000007 110.159 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.5 -42.53 8.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.495 . . . . 73.439999999999998 110.086 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.832 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 59.0 tt0 -122.07 131.67 54.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.422 -0.808 . . . . 74.349999999999994 109.223 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.129 0.49 . . . . 71.049999999999997 110.307 -178.893 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.885 0.374 . . . . 72.310000000000002 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.7 -41.07 94.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.16 0.505 . . . . 73.450000000000003 110.804 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.2 -32.97 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 74.230000000000004 110.187 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.36 -35.69 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 75.109999999999999 110.168 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 53' ' ' ALA . 61.2 t -62.3 -48.71 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.439 177.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' VAL . 75.3 m-20 -67.66 -35.68 79.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.039 -0.528 . . . . 53.310000000000002 110.277 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.4 tp -61.47 -40.78 95.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.871 -0.418 . . . . 64.019999999999996 109.871 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.57 HD22 HG22 ' A' ' 49' ' ' THR . 57.2 tp -56.72 -41.34 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.646 -0.706 . . . . 72.129999999999995 110.8 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.56 -33.16 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.98 0.419 . . . . 75.319999999999993 110.25 -179.575 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.45 -38.81 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 72.340000000000003 110.131 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.8 mm-40 -61.86 -47.51 84.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 74.109999999999999 110.898 178.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.435 HG22 ' HB3' ' A' ' 26' ' ' LEU . 72.0 mt -62.27 -33.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.037 0.446 . . . . 61.119999999999997 110.6 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.404 -0.362 . . . . 70.519999999999996 111.939 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 31.5 ptt85 -87.31 -41.23 13.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.977 -0.289 . . . . 63.43 111.753 -176.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 4.3 tp -90.88 -25.05 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 74.420000000000002 111.358 -173.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.04 -175.7 43.85 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.765 -0.731 . . . . 74.349999999999994 111.997 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 t -128.92 155.82 44.7 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.019 -0.363 . . . . 43.109999999999999 110.019 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -77.28 137.53 38.85 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.48 0.657 . . . . 71.420000000000002 109.871 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -88.77 165.45 14.69 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.372 -1.285 . . . . 61.140000000000001 109.965 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.42 -14.19 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.849 0.833 . . . . 75.420000000000002 108.936 167.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -17.92 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.117 -1.402 . . . . 65.319999999999993 110.86 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.14 -1.81 65.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.636 -0.792 . . . . 73.540000000000006 113.518 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -112.11 168.02 9.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.459 0.63 . . . . 72.299999999999997 110.555 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.435 ' HB3' HG22 ' A' ' 14' ' ' ILE . 3.6 mm? -85.27 140.99 30.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.439999999999998 111.029 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -144.54 147.08 32.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.96 -0.564 . . . . 41.020000000000003 110.474 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -145.72 145.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.972 -0.558 . . . . 70.400000000000006 109.844 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.62 ' HB2' HG23 ' A' ' 32' ' ' VAL . 72.5 mmtt -71.67 144.29 49.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.482 . . . . 75.239999999999995 110.758 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -41.06 98.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.188 -0.914 . . . . 73.409999999999997 109.964 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -34.16 87.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 54.049999999999997 112.493 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 29' ' ' LYS . 99.6 t -72.37 -49.82 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.313 . . . . 75.239999999999995 110.77 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.75 -45.67 92.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.979 -0.555 . . . . 64.25 109.799 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.77 -32.67 74.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.619 -0.719 . . . . 75.519999999999996 110.861 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -66.25 -45.54 80.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 44.520000000000003 111.484 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -36.89 73.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.769 -0.373 . . . . 74.150000000000006 110.346 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.98 -38.07 89.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.299 -0.409 . . . . 54.219999999999999 110.52 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' A' ' 38' ' ' LYS . 22.6 mmmt -64.89 -16.18 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.845 0.355 . . . . 74.030000000000001 111.395 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -87.65 -47.33 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.286 -0.416 . . . . 44.340000000000003 110.98 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.29 -15.62 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.866 0.691 . . . . 61.439999999999998 112.866 -172.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 57.04 64.47 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.605 0.717 . . . . 61.32 109.847 -173.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD13 ' OE2' ' A' ' 13' ' ' GLU . 31.0 mt -81.47 -48.04 12.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.859 -1.064 . . . . 74.530000000000001 110.759 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HZ ' ' HG3' ' A' ' 13' ' ' GLU . 57.9 m-85 -100.05 134.16 43.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.584 -0.735 . . . . 74.310000000000002 110.095 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.22 -42.79 71.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 65.519999999999996 110.106 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.43 92.97 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.558 -0.746 . . . . 70.209999999999994 109.552 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.24 -41.01 87.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 74.150000000000006 111.728 -173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.29 -45.37 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.681 0.277 . . . . 54.009999999999998 110.485 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.06 94.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.015 -0.612 . . . . 72.450000000000003 112.295 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.57 HG22 HD22 ' A' ' 10' ' ' LEU . 34.9 m -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.338 . . . . 74.209999999999994 110.588 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.51 -49.38 77.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.521 . . . . 71.530000000000001 110.571 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -60.71 -40.34 91.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.14 -0.936 . . . . 75.439999999999998 111.473 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.29 73.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.194 0.521 . . . . 70.409999999999997 110.703 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.72 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -67.2 -31.43 71.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.574 -0.739 . . . . 54.340000000000003 111.131 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 86.0 tttt -62.97 -46.11 89.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.717 0.294 . . . . 73.400000000000006 110.619 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.86 -24.36 59.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 72.150000000000006 111.444 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.541 ' HB3' HG12 ' A' ' 58' ' ' ILE . 65.9 ttt180 -85.42 4.67 34.41 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.885 0.374 . . . . 65.049999999999997 110.448 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 58.59 30.58 20.03 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.93 -0.577 . . . . 73.329999999999998 111.642 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.72 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 42.4 mm -82.23 -50.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.352 -0.61 . . . . 61.409999999999997 109.352 174.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.1 m -134.5 171.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.334 -0.848 . . . . 70.340000000000003 110.024 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.703 ' HB ' HD11 ' A' ' 79' ' ' LEU . 6.6 t -142.6 147.53 35.98 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.105 0.479 . . . . 75.140000000000001 110.032 174.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -162.0 149.7 11.89 Favored Pre-proline 0 C--N 1.317 -0.807 0 N-CA-C 107.976 -1.12 . . . . 75.120000000000005 107.976 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo . . . . . 0 C--O 1.234 0.307 0 C-N-CA 121.955 1.77 . . . . 73.319999999999993 111.921 -176.679 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.518 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 3.5 p80 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.704 0.287 . . . . 65.519999999999996 110.967 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -36.16 75.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.004 0.372 . . . . 71.409999999999997 112.004 -170.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -93.61 8.96 38.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 75.099999999999994 110.81 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.518 ' CG2' ' HA ' ' A' ' 71' ' ' HIS . 58.7 t -74.72 123.41 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 74.319999999999993 110.589 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.69 114.87 27.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.868 -0.606 . . . . 64.230000000000004 109.755 175.633 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.7 mp -85.85 121.86 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.187 -0.672 . . . . 63.310000000000002 109.187 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -103.1 130.01 53.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.062 -0.517 . . . . 63.32 111.52 -172.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.6 tp -80.28 112.61 17.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.819 . . . . 62.329999999999998 109.286 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.703 HD11 ' HB ' ' A' ' 60' ' ' THR . 82.6 mt -85.1 -35.98 21.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 71.409999999999997 110.861 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 45.1 tt0 -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.003 -0.544 . . . . 73.040000000000006 109.723 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 t0 . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 121.321 0.581 . . . . 74.319999999999993 110.335 179.702 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.4 p . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.029 0.381 . . . . 54.200000000000003 112.029 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.43 -37.29 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.098 0.475 . . . . 71.140000000000001 110.993 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -75.36 -33.94 61.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 74.420000000000002 110.119 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -72.73 -33.47 66.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 73.310000000000002 111.478 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.9 t -66.3 -48.16 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.704 0.287 . . . . 45.329999999999998 110.577 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -59.39 -41.03 88.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.872 0.368 . . . . 63.539999999999999 110.48 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 42' ' ' LEU . 56.7 tp -58.17 -46.85 85.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.77 . . . . 73.129999999999995 110.033 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.469 HD21 HD23 ' A' ' 50' ' ' LEU . 56.2 tp -56.51 -47.0 80.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 74.209999999999994 110.607 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 7' ' ' VAL . 74.6 t -56.03 -45.84 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.626 . . . . 64.049999999999997 111.436 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mm-40 -67.77 -38.6 83.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.224 -0.443 . . . . 62.439999999999998 111.505 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 63.8 mm-40 -63.62 -41.11 98.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 73.340000000000003 110.231 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 81.5 mt -63.59 -33.96 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 72.319999999999993 110.284 176.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.653 ' HA ' HD13 ' A' ' 26' ' ' LEU . 44.5 m170 -60.11 -46.49 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 70.25 111.354 178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' NH1' HD13 ' A' ' 17' ' ' LEU . 6.3 ppt_? -87.2 -27.22 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.489 0.551 . . . . 74.519999999999996 112.489 -172.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.516 HD13 ' NH1' ' A' ' 16' ' ' ARG . 6.4 tp -104.49 -2.79 24.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.012 0.375 . . . . 61.039999999999999 112.012 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.88 164.43 14.42 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.347 -0.93 . . . . 73.150000000000006 113.484 -174.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.0 t -121.61 155.85 34.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.79 -0.818 . . . . 61.109999999999999 108.79 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -84.46 136.1 33.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.423 0.63 . . . . 75.349999999999994 112.2 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -75.9 -179.19 4.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.695 -1.139 . . . . 73.099999999999994 110.4 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.53 -16.85 62.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.22 0.533 . . . . 53.210000000000001 110.11 174.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -78.73 -16.94 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.625 -0.716 . . . . 73.230000000000004 109.803 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 -1.67 70.18 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.733 -0.667 . . . . 74.329999999999998 112.488 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 57.1 mttp -92.1 150.75 20.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.589 0.233 . . . . 63.329999999999998 110.511 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 15' ' ' HIS . 60.0 mt -77.74 142.58 38.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.38 0.61 . . . . 75.409999999999997 111.601 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 75' ' ' ASP . 6.5 p -135.31 143.28 46.1 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 73.420000000000002 110.342 176.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG11 HG12 ' A' ' 14' ' ' ILE . 14.8 p -128.11 144.75 36.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.655 -0.498 . . . . 75.299999999999997 109.655 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 32' ' ' VAL . 27.2 mmmt -77.51 149.59 34.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.254 0.55 . . . . 72.430000000000007 110.803 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -67.13 -40.81 86.87 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.105 -0.952 . . . . 73.439999999999998 110.47 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -46.66 89.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.891 -0.671 . . . . 34.439999999999998 112.91 -176.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 29' ' ' LYS . 13.7 p -66.96 -39.87 84.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 72.230000000000004 110.794 -177.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.36 -46.08 67.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.181 -0.463 . . . . 64.120000000000005 110.17 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.3 -37.5 83.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 72.450000000000003 110.633 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -70.21 -46.06 65.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.866 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.28 -41.24 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 74.540000000000006 111.721 -172.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.02 -35.79 81.41 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.882 -0.327 . . . . 72.430000000000007 111.232 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.24 -18.75 17.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.581 0.586 . . . . 72.109999999999999 112.581 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -87.61 -21.0 25.6 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.085 0.402 . . . . 72.430000000000007 112.085 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.63 -28.6 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.143 -0.348 . . . . 60.399999999999999 111.804 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 57.71 55.26 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.505 0.669 . . . . 75.540000000000006 110.745 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.678 ' HB3' HD21 ' A' ' 9' ' ' LEU . 86.9 mt -80.57 -39.65 27.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.231 -0.895 . . . . 60.549999999999997 109.016 178.12 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -105.23 97.28 7.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.049 -0.978 . . . . 73.549999999999997 109.624 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.06 -29.83 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.389 0.614 . . . . 75.129999999999995 110.314 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 85.17 2.16 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.453 -0.794 . . . . 62.399999999999999 109.241 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 56.7 tp -55.72 -42.57 75.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.875 -0.602 . . . . 75.219999999999999 111.321 -175.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.61 -37.02 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.46 . . . . 74.200000000000003 110.233 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -47.5 61.68 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.82 -0.627 . . . . 74.219999999999999 112.033 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -61.67 -39.43 91.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.664 0.269 . . . . 75.450000000000003 110.62 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 HD21 ' A' ' 10' ' ' LEU . 85.0 mt -61.42 -48.08 82.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 65.230000000000004 110.579 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -39.16 92.34 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.387 -0.369 . . . . 62.25 111.113 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.05 -52.99 61.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.193 0.52 . . . . 63.530000000000001 110.917 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -72.91 -31.67 64.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.657 -0.701 . . . . 55.210000000000001 111.167 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 82.9 tttt -65.44 -40.7 93.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.017 0.437 . . . . 72.109999999999999 110.129 177.436 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -73.54 -22.66 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 75.219999999999999 111.455 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -91.01 2.17 56.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.433 -0.349 . . . . 72.439999999999998 110.873 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 62.16 27.54 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.647 -0.706 . . . . 73.349999999999994 110.856 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.6 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.6 mt -86.87 -37.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.197 -0.911 . . . . 71.319999999999993 109.715 178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 26.3 m -135.09 167.99 24.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.809 -0.632 . . . . 73.140000000000001 109.626 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.474 ' HB ' HD11 ' A' ' 79' ' ' LEU . 1.9 t -156.93 152.85 27.22 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.84 -0.43 . . . . 70.230000000000004 109.84 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 26.0 p90 -158.01 146.06 13.94 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 109.005 -0.739 . . . . 63.140000000000001 109.005 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.894 ' HD2' HG13 ' A' ' 74' ' ' VAL . 26.7 Cg_exo . . . . . 0 N--CA 1.462 -0.374 0 C-N-CA 122.267 1.978 . . . . 71.5 111.792 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 . . . . . 0 C--O 1.225 -0.222 0 N-CA-C 111.991 0.367 . . . . 74.519999999999996 111.991 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -32.12 7.4 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.836 0.454 . . . . 72.030000000000001 111.355 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 33.3 t70 -85.54 0.51 52.23 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.036 -0.529 . . . . 73.310000000000002 111.608 -176.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.894 HG13 ' HD2' ' A' ' 62' ' ' PRO . 38.5 t -74.61 121.14 25.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.416 -0.587 . . . . 60.43 109.416 174.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 3.0 m-20 -89.22 120.65 30.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.644 -0.707 . . . . 71.019999999999996 110.461 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.5 mp -86.1 108.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.341 -0.985 . . . . 65.400000000000006 108.341 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' A' ' 27' ' ' SER . 61.5 mt -95.38 127.99 46.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.621 -0.718 . . . . 65.049999999999997 110.826 -172.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.6 tp -80.45 110.54 16.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.507 -0.77 . . . . 64.150000000000006 109.511 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 86.2 mt -87.62 -33.73 18.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.857 -0.61 . . . . 63.310000000000002 110.666 -176.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.6 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 33.4 tt0 -131.23 132.3 44.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.022 -0.536 . . . . 72.530000000000001 110.403 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.319 -0.727 0 N-CA-C 109.605 -0.517 . . . . 74.230000000000004 109.605 176.077 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 112.745 0.646 . . . . 61.329999999999998 112.745 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.56 -42.28 82.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 73.129999999999995 111.194 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -79.84 -29.63 40.16 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.765 -0.374 . . . . 74.219999999999999 110.606 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -71.19 -29.02 64.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 75.430000000000007 110.585 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 3' ' ' VAL . 81.5 t -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.763 -0.458 . . . . 54.210000000000001 109.763 172.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.0 m-20 -61.92 -36.56 81.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.948 0.404 . . . . 52.219999999999999 110.234 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 63.0 tp -64.6 -42.3 95.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 73.209999999999994 109.536 175.584 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.579 HD21 HD23 ' A' ' 50' ' ' LEU . 56.9 tp -56.73 -49.7 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.433 -0.803 . . . . 75.349999999999994 110.681 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 7' ' ' VAL . 2.9 m -67.43 -30.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.552 -0.295 . . . . 65.409999999999997 110.537 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -66.3 -45.13 81.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.875 0.369 . . . . 74.140000000000001 110.017 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 19.9 mm-40 -60.98 -39.61 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 54.530000000000001 109.887 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 68.3 mt -66.19 -33.87 66.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.239 -0.437 . . . . 64.439999999999998 110.742 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.571 ' HA ' HD13 ' A' ' 26' ' ' LEU . 64.9 m170 -55.03 -48.5 73.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.927 0.394 . . . . 74.349999999999994 110.632 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -87.38 -45.41 10.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 74.439999999999998 112.129 -174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.0 mt -79.86 -29.74 40.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.629 0.252 . . . . 73.219999999999999 111.43 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.76 162.07 31.24 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.572 -0.823 . . . . 63.409999999999997 112.425 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -118.37 155.72 30.2 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.932 -0.395 . . . . 63.439999999999998 109.932 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.51 124.75 29.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 62.439999999999998 110.257 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -78.53 175.02 10.73 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.109 -0.95 . . . . 73.319999999999993 109.441 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -9.28 39.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.534 0.683 . . . . 73.409999999999997 110.015 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.22 -0.02 50.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.925 -1.034 . . . . 75.239999999999995 109.817 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.95 24.93 75.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.647 -0.706 . . . . 71.439999999999998 112.849 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -135.25 151.16 50.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.735 -0.273 . . . . 73.310000000000002 111.013 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 15' ' ' HIS . 82.7 mt -76.57 136.5 39.26 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.755 -0.657 . . . . 74.239999999999995 110.913 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -143.86 147.35 33.93 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.315 -0.402 . . . . 71.400000000000006 110.473 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.41 136.79 14.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 62.299999999999997 109.078 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 39.9 mtmt -70.69 143.32 51.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.129 0.49 . . . . 73.109999999999999 111.22 -177.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 7.9 t80 -56.16 -41.6 75.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 71.209999999999994 110.286 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.86 -31.44 72.01 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.15 -0.548 . . . . 61.020000000000003 113.304 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.56 -51.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 64.420000000000002 110.609 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.64 -41.78 92.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.903 -0.59 . . . . 73.5 110.225 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.13 -38.12 73.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 75.109999999999999 111.025 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -61.28 -50.36 73.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.749 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.58 -41.86 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.402 . . . . 65.340000000000003 110.369 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.849 -0.614 . . . . 62.32 111.628 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HA ' ' HE3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.9 -19.78 63.4 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.845 -0.342 . . . . 74.120000000000005 111.643 -178.31 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -88.06 -47.22 8.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.495 -0.321 . . . . 73.25 110.672 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -22.52 23.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 63.310000000000002 112.322 -173.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 60.0 62.33 1.67 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.642 0.734 . . . . 54.119999999999997 110.34 -172.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.28 -48.05 13.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.003 . . . . 75.540000000000006 109.759 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 10' ' ' LEU . 34.6 m-85 -114.55 103.52 11.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 55.420000000000002 109.271 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -52.74 -44.31 66.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.968 -0.56 . . . . 75.099999999999994 110.53 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.31 84.52 2.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 45.149999999999999 109.584 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.49 -42.0 77.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.759 -0.655 . . . . 74.209999999999994 111.227 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.4 p -61.35 -40.5 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 72.420000000000002 110.721 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.03 -42.98 94.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.919 -0.657 . . . . 72.219999999999999 112.279 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.49 HG22 HD22 ' A' ' 10' ' ' LEU . 8.8 m -61.3 -39.62 91.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.034 0.445 . . . . 72.549999999999997 110.499 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 10' ' ' LEU . 95.0 mt -67.78 -43.03 80.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.002 -0.545 . . . . 70.329999999999998 110.822 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 13.9 mmmm -58.06 -45.67 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 73.430000000000007 110.778 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -52.2 66.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.718 -0.674 . . . . 74.430000000000007 110.834 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -68.35 -36.44 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.065 -0.516 . . . . 31.149999999999999 111.54 -176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 83.8 tttt -63.71 -46.46 85.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 75.510000000000005 110.525 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -78.27 -19.23 54.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.299999999999997 111.789 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HD3' HD11 ' A' ' 58' ' ' ILE . 27.1 ttt180 -85.07 -0.09 53.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.322 -0.622 . . . . 72.409999999999997 109.322 172.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.52 28.05 15.2 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.727 -1.124 . . . . 72.510000000000005 111.843 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.719 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 87.1 mt -86.27 -41.12 14.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.247 -0.888 . . . . 74.420000000000002 109.902 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.0 m -131.57 167.37 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.14 -0.482 . . . . 63.299999999999997 110.141 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.404 ' HB ' HD11 ' A' ' 79' ' ' LEU . 12.1 t -150.02 152.64 35.19 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.308 -0.627 . . . . 70.349999999999994 109.308 174.411 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -157.75 150.54 18.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.02 -0.536 . . . . 64.120000000000005 109.691 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HG2' HG13 ' A' ' 74' ' ' VAL . 19.3 Cg_endo . . . . . 0 C--O 1.234 0.279 0 C-N-CA 122.378 2.052 . . . . 63.310000000000002 111.923 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.533 0.568 . . . . 73.239999999999995 112.533 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 19.8 t70 -71.94 -31.06 65.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.715 -0.394 . . . . 70.219999999999999 111.174 -176.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.2 9.09 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.835 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.409 HG23 ' HA ' ' A' ' 71' ' ' HIS . 20.9 t -90.45 115.34 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 75.519999999999996 110.032 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -96.65 118.35 32.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.072 -0.714 . . . . 70.409999999999997 109.072 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.12 108.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.839 -0.8 . . . . 73.400000000000006 108.839 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.5 mt -100.01 124.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.554 -0.748 . . . . 63.340000000000003 111.191 -171.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.02 116.97 20.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 74.310000000000002 110.131 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.404 HD11 ' HB ' ' A' ' 60' ' ' THR . 94.3 mt -93.71 -40.06 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.199 0.523 . . . . 74.25 110.431 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.719 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -123.35 131.47 53.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.634 -0.712 . . . . 75.349999999999994 109.498 -178.411 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.7 t0 . . . . . 0 C--N 1.318 -0.791 0 N-CA-C 109.439 -0.578 . . . . 73.140000000000001 109.439 -178.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 7' ' ' VAL . 13.5 p . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 113.13 0.789 . . . . 73.209999999999994 113.13 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.04 -37.07 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 74.439999999999998 110.982 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -79.79 -32.88 40.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.397 -0.365 . . . . 74.310000000000002 110.759 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.22 -45.19 88.1 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.679 -0.489 . . . . 75.439999999999998 109.679 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.8 t -62.97 -43.82 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 115.671 -0.695 . . . . 73.129999999999995 111.557 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.516 ' O ' HG22 ' A' ' 11' ' ' VAL . 87.2 m-20 -67.82 -32.71 73.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 72.109999999999999 110.353 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.11 -36.82 85.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.662 -0.496 . . . . 74.439999999999998 109.662 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.692 HD22 HG22 ' A' ' 49' ' ' THR . 57.7 tp -58.42 -45.84 87.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 71.129999999999995 110.57 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.57 -33.82 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.034 -0.358 . . . . 70.120000000000005 110.034 -179.187 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 1.9 mm-40 -65.33 -38.98 91.78 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.348 -0.387 . . . . 65.030000000000001 110.961 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -66.02 -43.62 87.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.514 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 78' ' ' LEU . 64.9 mt -62.67 -34.05 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 72.420000000000002 110.395 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 63.8 m170 -57.39 -52.23 66.19 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.439 -0.346 . . . . 44.030000000000001 111.138 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -86.96 -44.15 11.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 74.25 112.618 -171.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -87.71 -12.51 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.662 0.245 . . . . 74.120000000000005 111.662 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.46 167.5 32.61 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.593 -0.813 . . . . 74.409999999999997 112.965 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -125.12 159.1 32.26 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.377 -0.601 . . . . 64.140000000000001 109.377 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.25 127.9 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.784 0.802 . . . . 51.539999999999999 111.207 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.07 169.75 12.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.243 -1.344 . . . . 72.310000000000002 108.938 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.57 64.96 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.605 0.594 . . . . 72.200000000000003 112.605 -172.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.82 5.73 38.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.953 0.353 . . . . 72.120000000000005 111.953 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.97 61.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.323 -0.941 . . . . 61.039999999999999 111.222 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -94.15 164.56 13.01 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.335 -0.617 . . . . 74.239999999999995 109.335 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.13 120.8 41.36 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.652 -0.499 . . . . 73.239999999999995 109.652 176.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.514 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 29.0 t -124.97 143.49 50.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.797 0.332 . . . . 75.120000000000005 111.066 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -147.08 140.37 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.849 -0.614 . . . . 42.329999999999998 110.195 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 37.4 mtmt -70.52 148.27 48.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.194 0.521 . . . . 73.420000000000002 111.407 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.97 -40.41 89.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.354 -0.839 . . . . 73.230000000000004 111.2 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.412 ' H ' ' HA ' ' A' ' 72' ' ' ASP . . . -62.72 -44.5 97.41 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.076 -0.583 . . . . 54.310000000000002 112.754 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.29 -43.75 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 71.129999999999995 110.434 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.486 HD21 ' HE2' ' A' ' 43' ' ' PHE . 4.7 tt -64.49 -45.8 85.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.714 -0.675 . . . . 73.349999999999994 109.845 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.64 -42.53 88.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 70.450000000000003 110.363 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -48.38 75.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.702 . . . . 55.049999999999997 111.696 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.92 -44.81 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.84 -0.344 . . . . 71.319999999999993 110.85 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.36 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 74.420000000000002 111.422 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmpm? -75.21 -19.12 59.96 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.746 -0.596 . . . . 74.219999999999999 110.921 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -88.5 -46.75 8.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.178 -0.465 . . . . 74.409999999999997 111.17 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.34 -21.74 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.128 0.418 . . . . 73.040000000000006 112.128 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.2 t30 56.7 68.51 0.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.558 0.694 . . . . 71.530000000000001 109.515 -170.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.5 -48.09 12.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.1 -0.955 . . . . 74.540000000000006 110.507 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.486 ' HE2' HD21 ' A' ' 33' ' ' LEU . 66.8 m-85 -98.11 122.0 40.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.602 -0.726 . . . . 72.310000000000002 110.444 -176.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.87 -33.57 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.094 -0.706 . . . . 74.319999999999993 109.094 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.63 84.27 2.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.38 -0.827 . . . . 64.230000000000004 109.683 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.26 -56.97 15.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.986 -0.552 . . . . 64.299999999999997 111.57 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.19 -33.58 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.835 -0.346 . . . . 75.420000000000002 110.591 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.94 99.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.619 -0.801 . . . . 74.439999999999998 111.728 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.692 HG22 HD22 ' A' ' 10' ' ' LEU . 62.8 m -59.66 -43.19 94.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 74.219999999999999 110.546 176.632 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.15 -50.1 67.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 60.030000000000001 110.757 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -61.0 -36.76 80.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 74.430000000000007 110.745 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.53 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 52.32 111.099 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.0 -35.26 78.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.728 -0.669 . . . . 75.439999999999998 111.861 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.6 tttt -64.77 -44.87 88.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.833 0.349 . . . . 60.219999999999999 110.417 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -71.58 -24.23 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.027 0.441 . . . . 63.240000000000002 110.846 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HB2' HG12 ' A' ' 58' ' ' ILE . 69.5 mtt180 -84.44 -1.54 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 64.420000000000002 110.934 176.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 57.92 28.89 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.359 0.599 . . . . 74.209999999999994 111.169 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.635 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 36.0 mm -74.85 -43.74 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 108.014 -1.106 . . . . 41.310000000000002 108.014 172.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.8 m -137.21 166.32 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.323 -1.308 . . . . 74.349999999999994 109.018 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.502 ' HB ' HD11 ' A' ' 79' ' ' LEU . 10.3 t -144.64 149.19 35.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.887 0.375 . . . . 64.299999999999997 110.232 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.513 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -157.98 144.09 12.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 74.340000000000003 109.116 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 32.5 Cg_exo . . . . . 0 C--O 1.237 0.437 0 C-N-CA 122.422 2.081 . . . . 64.439999999999998 111.457 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 109.886 -0.413 . . . . 74.409999999999997 109.886 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.471 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 8.6 t70 -65.14 -21.44 66.79 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.878 -0.601 . . . . 63.549999999999997 111.386 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.89 4.6 28.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.825 0.821 . . . . 73.519999999999996 110.292 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 62' ' ' PRO . 88.9 t -112.39 125.6 69.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 73.099999999999994 110.665 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 5.3 m-20 -91.48 136.41 33.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.849 -0.614 . . . . 42.229999999999997 110.782 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.513 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.2 mp -97.17 121.31 47.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.679 -0.859 . . . . 71.540000000000006 108.679 175.053 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.48 130.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.962 0.411 . . . . 72.25 111.411 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.502 ' HB2' HG21 ' A' ' 14' ' ' ILE . 38.2 tp -80.3 128.1 33.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 74.310000000000002 109.946 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.502 HD11 ' HB ' ' A' ' 60' ' ' THR . 71.1 mt -106.79 -41.33 5.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.983 -0.553 . . . . 64.409999999999997 110.779 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 50.4 mt-30 -111.44 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.964 -0.562 . . . . 74.140000000000001 110.557 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 109.454 -0.572 . . . . 73.120000000000005 109.454 175.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.614 ' HA ' ' OE1' ' A' ' 6' ' ' GLU . 8.6 p . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 113.031 0.752 . . . . 75.420000000000002 113.031 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.49 -26.93 65.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.526 -0.306 . . . . 71.319999999999993 111.324 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -79.39 -35.82 40.12 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.592 -0.521 . . . . 64.510000000000005 109.592 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.614 ' OE1' ' HA ' ' A' ' 3' ' ' VAL . 3.9 mp0 -72.47 -38.17 68.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.364 -0.834 . . . . 73.310000000000002 110.317 178.163 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 3' ' ' VAL . 88.5 t -62.38 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 73.519999999999996 110.119 174.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.12 -33.73 76.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.874 -0.603 . . . . 73.230000000000004 110.141 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.5 tp -68.81 -43.11 76.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.218 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD22 HG22 ' A' ' 49' ' ' THR . 59.7 tp -56.26 -44.14 79.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.979 -0.555 . . . . 74.209999999999994 109.997 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.87 -36.94 75.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.282 -0.872 . . . . 75.409999999999997 110.915 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.8 tp10 -64.21 -45.87 86.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.078 0.466 . . . . 54.310000000000002 110.725 177.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 3.2 mm-40 -61.91 -35.65 78.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.807 -0.633 . . . . 73.209999999999994 110.393 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.531 HG21 ' HB2' ' A' ' 78' ' ' LEU . 63.2 mt -67.3 -32.35 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.832 -0.622 . . . . 71.120000000000005 110.309 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -66.93 -37.41 84.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.993 0.425 . . . . 72.019999999999996 110.243 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.485 HH21 ' CD ' ' A' ' 13' ' ' GLU . 42.3 mtm105 -81.01 -49.24 11.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 63.310000000000002 112.016 -174.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.14 -2.75 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 72.340000000000003 111.198 -173.285 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . -89.13 132.6 11.34 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.647 -0.787 . . . . 52.340000000000003 113.069 -175.134 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -99.17 157.09 16.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.809 -0.811 . . . . 71.120000000000005 108.809 175.27 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -77.03 133.22 39.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.238 1.018 . . . . 62.350000000000001 112.421 -174.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -88.72 176.0 7.27 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.51 -1.677 . . . . 64.319999999999993 109.785 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.23 74.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.652 0.612 . . . . 53.140000000000001 112.652 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.71 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 7.1 m-20 -79.45 -7.98 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.234 . . . . 52.310000000000002 111.223 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.49 12.34 56.03 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.74 -0.944 . . . . 72.140000000000001 110.74 -171.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.71 ' HG3' ' HB2' ' A' ' 23' ' ' ASP . 16.6 mttp -84.53 168.23 15.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 64.310000000000002 109.582 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.18 136.21 41.4 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.657 -0.497 . . . . 74.439999999999998 109.657 172.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -138.77 142.02 38.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.88 0.371 . . . . 72.329999999999998 110.199 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.53 137.93 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.287 -0.415 . . . . 71.120000000000005 110.142 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 75' ' ' ASP . 63.6 mttm -79.14 146.23 33.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.702 -0.226 . . . . 73.430000000000007 110.767 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -53.51 -41.92 66.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 43.25 111.442 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -38.1 79.6 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 121.173 -0.537 . . . . 72.510000000000005 112.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.17 -43.27 37.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.058 0.456 . . . . 74.409999999999997 110.569 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.48 -45.22 80.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.903 -0.589 . . . . 71.219999999999999 110.068 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 49.3 t80 -58.35 -39.76 80.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.769 -0.651 . . . . 74.140000000000001 110.322 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -53.29 -47.36 69.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.822 -0.626 . . . . 50.420000000000002 111.11 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' A' ' 16' ' ' ARG . 0.9 OUTLIER -70.16 -40.25 74.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 73.299999999999997 110.353 -174.929 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.04 -43.41 95.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 73.209999999999994 111.098 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 31.0 mmmt -60.95 -14.5 23.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.045 0.387 . . . . 74.439999999999998 112.045 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -80.74 -42.07 22.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 72.219999999999999 111.163 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.75 -11.33 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.732 0.641 . . . . 74.150000000000006 112.732 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 54.01 71.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.849 0.833 . . . . 73.140000000000001 109.035 -167.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.38 -41.69 21.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.576 -1.193 . . . . 74.430000000000007 110.265 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -108.47 106.44 16.54 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.634 -0.712 . . . . 75.549999999999997 110.244 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.36 -40.7 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.163 0.506 . . . . 72.540000000000006 109.841 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.89 86.92 2.53 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.086 -0.709 . . . . 74.329999999999998 109.086 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 49.5 tp -56.96 -45.72 82.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.877 -0.601 . . . . 74.109999999999999 110.766 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.26 -37.25 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 71.420000000000002 110.732 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.14 85.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.939 -0.648 . . . . 53.420000000000002 112.327 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.482 HG22 HD22 ' A' ' 10' ' ' LEU . 32.4 m -59.39 -41.44 89.37 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.725 0.298 . . . . 72.230000000000004 110.674 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD23 HD21 ' A' ' 10' ' ' LEU . 96.3 mt -61.3 -48.31 81.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.303 -0.408 . . . . 72.439999999999998 110.497 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 27.4 mmmt -58.73 -41.79 87.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.952 -0.567 . . . . 65.219999999999999 111.208 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.22 70.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 74.450000000000003 111.18 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.6 -26.99 60.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.889 -0.596 . . . . 74.239999999999995 111.119 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 81.5 tttt -67.41 -39.04 85.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.787 -0.449 . . . . 64.030000000000001 109.787 177.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.75 -38.35 90.7 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.255 -0.43 . . . . 70.319999999999993 110.682 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.54 8.76 18.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.802 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 10.8 mptt 60.85 23.14 13.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.97 0.508 . . . . 74.150000000000006 111.487 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.726 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 88.3 mt -79.9 -47.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.976 -0.556 . . . . 75.540000000000006 109.813 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 53' ' ' ALA . 30.9 m -129.94 161.44 39.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.96 -0.564 . . . . 72.340000000000003 110.066 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.6 t -142.75 148.06 36.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 45.109999999999999 110.098 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.637 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -155.03 136.86 9.58 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 108.775 -0.824 . . . . 75.430000000000007 108.775 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 37.3 Cg_exo . . . . . 0 C--O 1.236 0.381 0 C-N-CA 122.191 1.928 . . . . 73.0 111.651 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.432 ' HA ' HG23 ' A' ' 74' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.828 0.347 . . . . 64.019999999999996 110.859 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.07 -37.98 84.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 72.510000000000005 111.199 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.13 8.07 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.968 -0.56 . . . . 54.140000000000001 111.278 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 71' ' ' HIS . 76.2 t -79.39 127.9 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 55.549999999999997 110.617 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 5.1 m-20 -86.74 130.22 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.48 -0.782 . . . . 72.439999999999998 111.036 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mp -94.45 119.36 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.766 -0.827 . . . . 42.43 108.766 172.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -100.64 128.28 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.084 -0.507 . . . . 74.209999999999994 111.059 -174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' ' 14' ' ' ILE . 41.7 tp -81.96 110.95 17.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 74.209999999999994 109.835 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.46 -42.19 11.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.278 0.561 . . . . 74.129999999999995 110.419 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.726 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 29.3 tt0 -125.83 133.63 51.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.599 -0.728 . . . . 72.299999999999997 109.991 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 109.46 -0.571 . . . . 61.409999999999997 109.46 179.578 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.522 0.564 . . . . 71.120000000000005 112.522 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -61.41 -41.35 97.02 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.836 0.35 . . . . 62.43 110.743 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -64.66 -42.82 95.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 73.25 110.141 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.22 -34.43 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 74.329999999999998 110.22 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 3' ' ' VAL . 61.6 t -68.28 -39.15 80.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 74.129999999999995 110.32 175.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -64.35 -31.49 72.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.038 0.447 . . . . 65.120000000000005 110.149 174.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.9 tp -69.69 -44.51 70.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.881 -0.599 . . . . 73.450000000000003 109.536 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.55 HD22 HG22 ' A' ' 49' ' ' THR . 55.3 tp -56.57 -52.47 64.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.527 -0.761 . . . . 64.209999999999994 110.81 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.3 -30.57 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 75.430000000000007 111.271 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 31.8 tt0 -70.92 -45.35 64.4 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.667 0.27 . . . . 63.399999999999999 110.457 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' A' ' 13' ' ' GLU . 30.7 mm-40 -63.51 -34.51 77.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.667 0.27 . . . . 74.340000000000003 110.753 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 10' ' ' LEU . 92.4 mt -63.92 -33.56 62.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 74.140000000000001 110.418 175.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 2.4 m-70 -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.38 . . . . 73.209999999999994 111.272 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -84.39 -48.35 9.75 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.188 0.44 . . . . 71.540000000000006 112.188 -176.234 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.33 -18.6 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.741 0.305 . . . . 74.239999999999995 111.402 -174.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.81 162.01 33.86 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.576 -0.821 . . . . 53.310000000000002 113.016 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -126.36 159.17 33.95 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.576 -0.898 . . . . 75.209999999999994 108.576 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -75.33 127.09 32.37 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 122.135 0.969 . . . . 73.430000000000007 111.253 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -86.12 172.48 10.54 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.614 -1.63 . . . . 71.349999999999994 109.565 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.4 -25.61 68.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 111.494 -175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.6 -11.42 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.179 -0.464 . . . . 64.310000000000002 111.358 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.96 2.53 71.5 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 110.474 -1.05 . . . . 73.25 110.474 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -84.88 145.83 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.645 -0.777 . . . . 64.540000000000006 110.068 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.78 128.89 33.98 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.451 -0.574 . . . . 74.219999999999999 109.451 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -136.97 143.03 42.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.855 0.359 . . . . 54.520000000000003 110.74 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.86 138.27 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.859 -0.609 . . . . 74.519999999999996 110.177 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.68 142.14 38.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 74.209999999999994 111.296 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -69.59 -26.7 64.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 72.540000000000006 110.78 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.41 -48.09 81.68 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.704 -0.76 . . . . 62.409999999999997 112.102 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.11 -41.21 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.724 0.297 . . . . 64.140000000000001 110.911 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 75.530000000000001 110.159 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -66.87 -35.21 79.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.72 0.295 . . . . 61.32 110.291 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -61.0 -47.89 84.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 75.530000000000001 110.467 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.61 -48.75 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 64.129999999999995 110.993 178.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -31.26 71.44 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 116.534 -0.303 . . . . 73.540000000000006 111.074 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 44.5 tptt -58.83 -28.65 66.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.967 0.413 . . . . 74.209999999999994 111.116 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 m -87.44 -16.9 33.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.125 -0.489 . . . . 74.140000000000001 111.906 -177.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.23 -33.64 3.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.645 0.609 . . . . 52.409999999999997 112.645 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 55.73 63.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.359 0.664 . . . . 74.329999999999998 110.464 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -80.53 -45.35 17.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.532 -0.758 . . . . 75.430000000000007 109.815 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 46' ' ' LEU . 64.0 m-85 -88.03 109.16 19.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.427 -0.806 . . . . 73.219999999999999 110.31 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.75 -53.3 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.356 -0.609 . . . . 71.329999999999998 109.356 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.34 84.81 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.693 -0.685 . . . . 52.130000000000003 109.822 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 43' ' ' PHE . 39.1 tp -58.2 -42.52 86.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 64.409999999999997 110.891 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.25 -32.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.299 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.73 -44.61 62.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.119 -0.562 . . . . 51.229999999999997 112.106 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.55 HG22 HD22 ' A' ' 10' ' ' LEU . 10.2 m -59.5 -43.71 93.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 74.409999999999997 110.722 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.38 -44.3 97.4 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.235 -0.438 . . . . 74.340000000000003 110.465 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 4.7 tptp -59.29 -45.89 90.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.02 -0.536 . . . . 52.119999999999997 110.737 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.819 -0.628 . . . . 74.230000000000004 111.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.839 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -75.24 -27.08 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.587 -0.733 . . . . 74.430000000000007 111.698 -176.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.33 -35.84 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.7 -0.4 . . . . 62.329999999999998 110.042 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 30.1 mmt180 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.061 0.458 . . . . 74.310000000000002 110.388 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.64 ' HB2' HG12 ' A' ' 58' ' ' ILE . 65.3 mtt180 -88.11 -1.19 57.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 73.239999999999995 111.586 -178.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 57' ' ' LYS . 33.0 mmtp 56.04 33.97 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.398 0.618 . . . . 71.25 111.041 -175.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.839 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 24.8 mm -72.18 -42.42 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 108.041 -1.096 . . . . 65.310000000000002 108.041 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' A' ' 53' ' ' ALA . 28.8 m -135.63 171.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.494 -1.23 . . . . 74.450000000000003 109.156 177.102 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.9 t -152.09 150.89 30.42 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.72 -0.474 . . . . 40.399999999999999 109.72 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.546 ' HB3' HG13 ' A' ' 76' ' ' ILE . 27.5 p90 -157.55 148.16 16.11 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.097 -0.705 . . . . 64.329999999999998 109.097 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HD2' HG13 ' A' ' 74' ' ' VAL . 52.9 Cg_exo . . . . . 0 C--O 1.234 0.301 0 C-N-CA 122.245 1.963 . . . . 74.099999999999994 111.878 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.494 ' HA ' HG23 ' A' ' 74' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 113.241 0.83 . . . . 64.219999999999999 113.241 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.76 -34.59 71.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.914 -0.492 . . . . 74.519999999999996 111.773 -171.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -98.44 9.43 43.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.309 0.576 . . . . 72.109999999999999 110.819 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.494 HG23 ' HA ' ' A' ' 71' ' ' HIS . 44.9 t -74.18 114.54 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.196 -0.456 . . . . 71.439999999999998 109.799 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.7 119.73 31.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.93 0.395 . . . . 75.129999999999995 110.812 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.4 mp -86.51 117.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.929 -0.767 . . . . 63.109999999999999 108.929 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.4 mt -96.24 126.17 48.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.054 -0.521 . . . . 72.299999999999997 110.947 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 14' ' ' ILE . 37.9 tp -79.94 110.35 15.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.91 -0.586 . . . . 72.549999999999997 109.587 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 89.8 mt -88.73 -42.4 11.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.007 0.432 . . . . 74.439999999999998 110.376 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -107.05 130.46 54.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.53 -0.915 . . . . 73.209999999999994 108.53 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t0 . . . . . 0 C--N 1.317 -0.817 0 CA-C-O 121.327 0.584 . . . . 64.439999999999998 110.429 -176.572 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.764 -0.458 . . . . 72.310000000000002 109.764 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -87.98 116.63 26.29 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.287 -1.005 . . . . 75.319999999999993 108.287 170.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 7' ' ' VAL . 9.1 p -52.8 -23.88 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 O-C-N 123.623 0.577 . . . . 74.299999999999997 112.157 -172.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.59 -34.05 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 45.530000000000001 111.212 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -82.45 -36.5 26.53 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.704 0.764 . . . . 63.509999999999998 109.311 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.78 -37.8 83.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.246 -1.343 . . . . 72.129999999999995 111.343 -177.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 3' ' ' VAL . 97.3 t -56.15 -47.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.022 -0.536 . . . . 53.520000000000003 110.943 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 95.4 m-20 -73.05 -30.99 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 62.549999999999997 110.953 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 55.0 tp -62.67 -43.71 98.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.485 -0.561 . . . . 73.319999999999993 109.485 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 49' ' ' THR . 50.2 tp -57.28 -50.97 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.15 -0.932 . . . . 71.409999999999997 111.023 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 8' ' ' ASN . 22.7 m -64.78 -29.85 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.478 -0.328 . . . . 75.319999999999993 111.609 -176.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 35.6 mt-10 -69.77 -48.11 60.48 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.054 -0.35 . . . . 72.5 110.054 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.5 mm-40 -60.47 -40.5 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 74.340000000000003 110.776 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' LEU . 87.9 mt -63.46 -33.11 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 70.239999999999995 110.593 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -64.76 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.663 -0.244 . . . . 72.430000000000007 111.241 178.352 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -45.48 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.205 0.446 . . . . 72.340000000000003 112.205 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -81.53 -23.75 37.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.011 0.374 . . . . 71.310000000000002 112.011 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.567 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -82.15 151.54 30.16 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.084 -0.579 . . . . 64.349999999999994 113.215 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -121.85 153.17 38.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.056 -0.72 . . . . 44.130000000000003 109.056 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -77.57 131.1 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.275 0.559 . . . . 74.409999999999997 111.855 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -88.88 -173.86 4.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.362 -0.835 . . . . 65.129999999999995 109.552 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.39 67.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.405 0.521 . . . . 53.530000000000001 112.405 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.32 -1.67 37.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.214 0.53 . . . . 73.109999999999999 110.977 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.06 -1.14 87.76 Favored Glycine 0 C--O 1.228 -0.242 0 C-N-CA 121.117 -0.563 . . . . 70.420000000000002 112.925 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 61.7 mttp -98.36 153.37 18.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.84 0.353 . . . . 70.049999999999997 110.874 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 15' ' ' HIS . 95.1 mt -72.86 135.69 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.294 0.569 . . . . 45.439999999999998 110.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 13.8 m -143.67 142.12 30.85 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.658 -0.701 . . . . 75.120000000000005 109.804 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.567 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 7.2 p -133.33 136.65 54.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.969 -0.382 . . . . 51.240000000000002 109.969 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.69 141.1 51.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.76 0.314 . . . . 64.349999999999994 110.787 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -51.89 -41.07 61.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.562 -0.745 . . . . 75.540000000000006 111.305 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 72' ' ' ASP . . . -61.62 -34.16 87.53 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.993 -0.622 . . . . 72.209999999999994 112.722 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.18 -47.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.932 0.396 . . . . 71.129999999999995 110.464 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.01 -43.96 81.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 74.510000000000005 109.761 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 50.9 t80 -61.22 -37.88 84.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 74.430000000000007 110.479 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -48.02 77.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 73.329999999999998 110.77 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -41.21 84.26 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.989 -0.55 . . . . 75.239999999999995 110.845 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.85 -32.36 73.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.347 -0.388 . . . . 74.140000000000001 111.223 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 29.7 mmmt -64.0 -21.0 66.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.983 -0.448 . . . . 71.439999999999998 111.534 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -87.83 -48.25 7.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 62.219999999999999 111.351 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.91 -26.45 13.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.365 0.506 . . . . 60.210000000000001 112.365 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 m120 54.25 68.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.773 0.797 . . . . 74.099999999999994 110.172 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.03 -40.36 24.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.633 -1.167 . . . . 73.0 109.727 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -108.23 100.0 9.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.032 -0.986 . . . . 73.439999999999998 109.378 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.52 -30.59 67.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.107 0.479 . . . . 72.230000000000004 110.423 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.14 84.56 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 73.310000000000002 109.601 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.66 -44.68 89.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.5 110.993 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.39 -45.81 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 70.439999999999998 110.416 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.99 92.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.069 -0.586 . . . . 72.129999999999995 112.798 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 10' ' ' LEU . 27.6 m -67.42 -42.18 83.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 52.310000000000002 110.205 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.02 -44.89 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.954 -0.566 . . . . 60.439999999999998 110.527 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -58.35 -46.28 86.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.856 -0.611 . . . . 73.129999999999995 111.088 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.1 -46.45 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 73.519999999999996 111.257 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.03 58.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 52.200000000000003 111.25 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 85.2 tttt -73.89 -32.24 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.893 -0.41 . . . . 60.420000000000002 109.893 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 3.0 mmp_? -73.39 -29.9 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 63.119999999999997 110.862 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -84.58 0.92 48.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 75.040000000000006 110.858 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . 2.1 mppt? 58.29 30.22 19.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.879 -0.6 . . . . 65.510000000000005 110.575 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.599 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 77.6 mt -83.97 -40.61 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.606 -0.725 . . . . 73.129999999999995 109.452 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.71 155.98 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 63.149999999999999 109.982 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.547 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.6 t -134.42 147.69 50.5 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.608 -0.516 . . . . 75.5 109.608 173.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 22.7 p90 -157.37 136.08 7.82 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.857 -0.611 . . . . 70.109999999999999 109.419 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.766 ' HD2' HG13 ' A' ' 74' ' ' VAL . 35.0 Cg_exo -58.75 139.01 88.94 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.357 2.038 . . . . 52.25 111.736 176.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.48 145.19 8.81 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.398 -0.906 . . . . 35.229999999999997 112.377 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -105.01 -55.9 2.25 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.682 -0.488 . . . . 75.120000000000005 109.682 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.0 mt -134.29 155.23 50.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.906 -0.588 . . . . 55.340000000000003 109.914 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -155.03 150.47 27.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.262 -0.274 . . . . 73.540000000000006 110.262 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -128.55 -41.6 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.199 0.523 . . . . 75.129999999999995 110.3 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -95.55 160.51 14.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 72.230000000000004 110.12 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.13 40.32 2.13 Favored Glycine 0 C--O 1.228 -0.265 0 C-N-CA 121.312 -0.47 . . . . 75.450000000000003 112.75 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 m -88.02 -11.01 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.421 0.629 . . . . 70.439999999999998 110.142 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -100.65 15.25 28.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.36 -0.836 . . . . 75.310000000000002 110.099 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' HB2' ' HA3' ' A' ' 31' ' ' GLY . 13.1 p-10 -67.85 -21.85 65.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.516 . . . . 74.319999999999993 111.682 -174.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 -4.07 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.223 0.535 . . . . 51.520000000000003 110.983 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.766 HG13 ' HD2' ' A' ' 62' ' ' PRO . 51.3 t -73.96 119.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.915 -0.584 . . . . 54.340000000000003 110.614 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.51 124.71 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 75.129999999999995 110.449 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 27' ' ' SER . 7.7 mm -85.22 108.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.283 -1.006 . . . . 73.230000000000004 108.283 175.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -92.42 126.69 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.323 -0.399 . . . . 73.510000000000005 111.167 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 34.9 tp -80.26 110.16 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.539 -0.541 . . . . 65.109999999999999 109.539 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.547 HD11 ' HB ' ' A' ' 60' ' ' THR . 85.7 mt -88.87 -43.48 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.215 0.531 . . . . 70.230000000000004 110.233 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.599 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 63.2 tt0 -114.09 131.92 56.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.544 -0.753 . . . . 73.140000000000001 109.358 -177.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -118.74 117.71 29.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.453 0.644 . . . . 51.520000000000003 111.608 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.629 HD23 ' H ' ' A' ' 82' ' ' LEU . 2.4 pt? -121.71 3.66 10.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.094 -0.957 . . . . 62.439999999999998 109.368 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.64 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 0.4 OUTLIER -99.51 93.79 6.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.546 -0.752 . . . . 55.310000000000002 110.76 -172.523 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.64 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER 150.73 139.47 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 O-C-N 124.893 1.371 . . . . 73.019999999999996 110.077 166.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 . . . . . 0 C--N 1.318 -0.764 0 CA-C-O 118.544 -0.741 . . . . 74.540000000000006 109.455 176.328 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttp . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.567 0.222 . . . . 73.510000000000005 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 67.0 t30 -72.99 137.21 45.3 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.979 -0.378 . . . . 51.039999999999999 109.979 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.4 p -56.03 -33.03 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 73.530000000000001 112.372 -172.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.86 86.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.003 0.43 . . . . 54.229999999999997 110.247 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -79.9 -31.67 40.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 74.319999999999993 111.022 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 6.9 mm-40 -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 64.209999999999994 110.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 3' ' ' VAL . 67.0 t -61.18 -44.06 97.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 70.439999999999998 111.184 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 34.2 m-20 -61.64 -43.04 99.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.437 -0.579 . . . . 64.129999999999995 109.437 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.702 HD21 ' HB3' ' A' ' 42' ' ' LEU . 60.0 tp -63.41 -35.39 80.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.598 . . . . 61.119999999999997 109.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.693 HD22 HG22 ' A' ' 49' ' ' THR . 44.6 tp -60.69 -52.25 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 65.129999999999995 110.139 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 8' ' ' ASN . 30.8 m -67.27 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.472 -0.331 . . . . 54.539999999999999 110.959 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.575 ' HB3' HH21 ' A' ' 16' ' ' ARG . 42.5 mt-10 -61.93 -50.49 71.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 64.019999999999996 110.567 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -66.69 -40.81 88.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 60.509999999999998 110.924 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 10' ' ' LEU . 93.0 mt -60.26 -33.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 70.239999999999995 110.717 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 72.409999999999997 111.535 177.423 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' A' ' 12' ' ' GLU . 25.3 mtm-85 -88.21 -25.69 22.76 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.573 0.953 . . . . 73.310000000000002 113.573 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -97.25 -16.54 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.217 -0.302 . . . . 71.329999999999998 111.1 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.56 21.68 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.844 -0.693 . . . . 52.539999999999999 112.891 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -125.4 155.53 40.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.55 -0.537 . . . . 62.450000000000003 109.55 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -85.94 133.73 33.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.501 . . . . 72.540000000000006 111.273 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -87.04 -175.18 5.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.524 -0.762 . . . . 72.109999999999999 110.823 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -26.49 67.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 52.210000000000001 111.679 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t70 -79.17 -16.81 56.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 73.219999999999999 110.628 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.24 4.01 59.93 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.98 -0.629 . . . . 73.049999999999997 112.293 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 61.6 mttp -91.93 149.25 21.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.622 0.249 . . . . 71.299999999999997 110.401 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 15' ' ' HIS . 74.2 mt -77.26 144.48 38.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 71.230000000000004 110.528 176.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -143.22 141.8 31.2 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.583 -0.525 . . . . 74.109999999999999 109.583 174.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.92 137.28 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.723 -0.473 . . . . 75.010000000000005 109.723 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -74.29 129.07 37.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.991 0.424 . . . . 70.010000000000005 110.791 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 85.2 t80 -55.8 -41.5 74.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.276 -0.875 . . . . 74.540000000000006 111.766 -175.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.27 -39.8 93.05 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.862 -0.685 . . . . 73.430000000000007 112.514 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.06 -49.99 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.645 0.259 . . . . 74.530000000000001 110.403 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.36 -46.24 89.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.692 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.56 -47.99 81.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 74.530000000000001 110.817 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 ttm105 -67.55 -35.16 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.497 . . . . 65.530000000000001 110.589 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.04 -50.16 51.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 72.329999999999998 110.095 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.77 -44.95 90.77 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.879 -0.6 . . . . 73.099999999999994 111.564 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.946 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -66.73 -19.37 65.74 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.58 -0.448 . . . . 71.510000000000005 111.475 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -88.19 -34.75 17.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.002 0.43 . . . . 71.239999999999995 111.13 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.16 -30.46 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.181 0.437 . . . . 64.299999999999997 112.181 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 67.62 60.22 0.47 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.566 0.746 . . . . 44.109999999999999 110.109 -173.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.702 ' HB3' HD21 ' A' ' 9' ' ' LEU . 79.1 mt -81.87 -49.19 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.944 -1.025 . . . . 74.140000000000001 110.303 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.8 126.16 47.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.655 -0.702 . . . . 75.129999999999995 110.29 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.08 69.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.698 0.761 . . . . 74.329999999999998 109.132 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.26 84.23 2.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.866 . . . . 74.349999999999994 109.983 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.24 -48.4 81.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 53.119999999999997 110.921 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.96 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 75.530000000000001 110.632 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.36 96.9 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.966 -0.635 . . . . 53.520000000000003 112.166 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.693 HG22 HD22 ' A' ' 10' ' ' LEU . 32.0 m -63.26 -45.75 90.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.076 0.465 . . . . 75.219999999999999 110.522 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.57 -46.02 91.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.681 -0.69 . . . . 70.120000000000005 111.032 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -44.02 95.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 72.549999999999997 111.721 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -55.5 -52.12 64.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.923 -0.58 . . . . 73.530000000000001 111.042 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -72.33 -33.14 67.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 62.229999999999997 111.456 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.6 -38.53 87.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 74.450000000000003 110.43 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 19.3 mmt180 -76.16 -21.3 56.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.421 -0.354 . . . . 72.299999999999997 111.612 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.777 ' HB2' HG12 ' A' ' 58' ' ' ILE . 99.8 mtt180 -88.22 -0.01 56.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.573 0.225 . . . . 75.420000000000002 110.861 176.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 58.76 30.41 19.98 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.234 0.54 . . . . 61.229999999999997 110.756 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.777 HG12 ' HB2' ' A' ' 56' ' ' ARG . 33.9 mm -76.66 -45.1 33.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.47 -0.937 . . . . 73.409999999999997 108.47 173.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.71 166.74 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.036 -0.983 . . . . 63.43 109.792 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.436 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.8 t -145.52 148.2 32.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 60.329999999999998 110.323 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -162.2 133.5 3.83 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.558 -0.746 . . . . 75.040000000000006 109.899 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -77.34 140.61 19.6 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.668 2.245 . . . . 65.549999999999997 112.157 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.95 76.71 0.59 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.807 -0.711 . . . . 75.409999999999997 112.482 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -84.76 -15.48 44.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.221 0.534 . . . . 63.240000000000002 110.198 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 tp -88.47 81.59 7.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.701 -0.681 . . . . 74.109999999999999 109.518 174.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 pp -108.64 173.05 6.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.676 -0.693 . . . . 61.140000000000001 110.702 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 67' ' ' LEU . 5.7 tt -138.58 -35.24 0.6 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.97 0.414 . . . . 61.43 110.291 -177.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 98.2 mt-30 -132.27 -174.28 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.965 0.412 . . . . 75.409999999999997 110.921 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' ASP . . . -82.24 41.08 2.75 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.074 -0.584 . . . . 61.329999999999998 112.324 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -77.63 -16.72 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 122.041 0.924 . . . . 71.540000000000006 109.319 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 22.2 m80 -93.34 15.86 14.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.156 -0.929 . . . . 63.340000000000003 110.603 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 69' ' ' GLY . 9.8 t70 -54.94 -39.32 68.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.739 -0.664 . . . . 74.200000000000003 111.553 -176.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -96.18 -0.98 49.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.115 0.483 . . . . 75.010000000000005 111.159 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.19 121.93 27.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.074 0.464 . . . . 73.299999999999997 110.603 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.6 122.43 27.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.453 -0.794 . . . . 71.109999999999999 110.898 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.5 mm -85.66 112.79 22.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.395 -0.965 . . . . 50.310000000000002 108.395 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.9 mt -92.43 130.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.073 0.463 . . . . 60.409999999999997 111.843 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -85.45 113.33 21.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.354 -0.839 . . . . 74.209999999999994 109.928 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.436 HD11 ' HB ' ' A' ' 60' ' ' THR . 91.2 mt -86.16 -42.09 14.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.375 -0.375 . . . . 61.329999999999998 110.41 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -117.68 132.26 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 73.420000000000002 109.707 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -97.21 109.47 22.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.128 0.489 . . . . 62.109999999999999 110.372 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.67 -51.62 11.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.696 -0.683 . . . . 73.400000000000006 109.544 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -83.74 36.75 0.56 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.58 -0.736 . . . . 73.120000000000005 110.348 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -68.63 98.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 74.219999999999999 111.491 -174.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.8 t60 . . . . . 0 C--O 1.243 0.754 0 CA-C-N 115.086 -0.961 . . . . 72.209999999999994 108.955 173.947 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.454 0.169 . . . . 63.439999999999998 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.564 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 2.7 m-20 -98.22 106.87 19.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.855 -0.794 . . . . 54.450000000000003 108.855 177.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 7' ' ' VAL . 13.3 p -59.94 -32.58 50.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 123.379 0.424 . . . . 74.209999999999994 111.483 -171.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.08 -44.14 94.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 62.009999999999998 110.471 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -79.62 -27.05 41.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 72.409999999999997 111.157 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 43.1 mt-10 -65.64 -29.8 70.42 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.864 -0.421 . . . . 72.150000000000006 109.864 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 53' ' ' ALA . 95.8 t -65.32 -42.03 92.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.135 -0.484 . . . . 61.439999999999998 110.205 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' O ' HG22 ' A' ' 11' ' ' VAL . 54.6 t30 -66.55 -31.87 72.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.305 0.574 . . . . 71.430000000000007 110.298 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 42' ' ' LEU . 67.2 tp -69.06 -43.55 74.42 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.519 -0.548 . . . . 74.510000000000005 109.519 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.455 HD22 HG22 ' A' ' 49' ' ' THR . 56.4 tp -56.76 -47.12 80.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.302 -0.863 . . . . 63.43 111.172 178.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 7' ' ' VAL . 18.9 m -66.43 -34.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 64.530000000000001 111.101 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -41.86 98.11 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.77 -0.456 . . . . 74.0 109.77 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 41.9 mm-40 -61.15 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.858 -0.61 . . . . 75.319999999999993 110.162 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -68.5 -34.32 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 62.030000000000001 110.836 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.745 ' HA ' HD13 ' A' ' 26' ' ' LEU . 33.0 m80 -60.15 -36.11 76.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.156 0.503 . . . . 72.430000000000007 110.478 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 16' ' ' ARG . 24.6 ttm105 -86.67 -47.42 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.776 . . . . 72.140000000000001 111.855 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.6 -22.81 22.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 71.430000000000007 111.775 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.6 164.38 29.11 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.695 -0.764 . . . . 70.230000000000004 112.722 -174.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -121.83 150.23 42.21 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.89 -0.411 . . . . 62.450000000000003 109.89 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -78.07 123.77 27.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.219 0.533 . . . . 62.350000000000001 111.051 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.06 -172.22 1.03 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.19 -0.914 . . . . 62.119999999999997 111.072 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -29.2 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 75.510000000000005 111.903 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -86.82 -13.48 44.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.355 0.597 . . . . 74.329999999999998 110.955 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.7 6.54 59.45 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.617 -0.802 . . . . 62.409999999999997 112.194 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -83.69 130.06 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.995 -0.372 . . . . 73.219999999999999 109.995 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 15' ' ' HIS . 44.7 mt -75.98 127.15 32.38 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.066 -0.515 . . . . 74.129999999999995 110.793 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.4 p -129.66 145.05 51.54 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 110.314 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.88 138.41 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.607 -0.724 . . . . 73.420000000000002 109.561 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.585 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 91.8 mttt -67.65 134.0 50.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.097 0.475 . . . . 72.420000000000002 110.577 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 50' ' ' LEU . 28.6 t80 -60.0 -26.37 66.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.288 -0.869 . . . . 62.439999999999998 110.597 -178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.52 -36.61 93.42 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.588 -0.815 . . . . 75.329999999999998 112.031 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -76.45 -47.81 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.894 0.378 . . . . 34.340000000000003 110.376 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.99 -46.08 89.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.749 -0.659 . . . . 65.420000000000002 110.286 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 86.5 t80 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 72.230000000000004 110.41 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -59.88 -46.69 88.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 73.140000000000001 111.053 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.03 -38.75 82.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 74.230000000000004 111.212 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.2 -31.15 70.47 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.769 -0.372 . . . . 55.140000000000001 110.653 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 26.8 mmmt -56.48 -24.72 47.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.024 -0.422 . . . . 73.109999999999999 111.329 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -88.48 -22.85 23.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.244 0.461 . . . . 42.549999999999997 112.244 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.53 -34.6 3.58 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.679 0.622 . . . . 74.230000000000004 112.679 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 48.01 70.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.578 0.704 . . . . 74.519999999999996 110.513 -169.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HB3' HD21 ' A' ' 9' ' ' LEU . 92.1 mt -80.79 -29.72 36.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.099 -0.955 . . . . 74.030000000000001 108.873 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 46' ' ' LEU . 21.6 m-85 -108.0 124.85 50.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.605 -1.18 . . . . 75.409999999999997 109.196 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.3 -37.91 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 72.239999999999995 109.568 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.43 86.61 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.596 -0.729 . . . . 73.140000000000001 109.561 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 43' ' ' PHE . 44.5 tp -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 54.420000000000002 111.519 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 62.5 t -65.94 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 55.210000000000001 109.95 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.1 -41.87 52.91 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.799 -0.637 . . . . 73.329999999999998 111.926 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.455 HG22 HD22 ' A' ' 10' ' ' LEU . 7.0 m -59.32 -38.66 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.938 0.399 . . . . 62.200000000000003 110.465 176.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 30' ' ' PHE . 90.0 mt -61.49 -41.9 97.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.931 -0.577 . . . . 51.109999999999999 110.832 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.532 ' HE3' ' HG3' ' A' ' 64' ' ' GLU . 33.7 mmtm -56.2 -48.87 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 74.219999999999999 110.634 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.97 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.832 -0.622 . . . . 74.430000000000007 111.418 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.585 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -71.47 -38.29 71.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.828 -0.624 . . . . 72.010000000000005 111.648 -175.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.598 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 84.6 tttt -63.14 -42.8 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 73.400000000000006 110.242 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 9.0 mmt85 -77.78 -14.84 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 71.319999999999993 111.253 -177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HB2' HG12 ' A' ' 58' ' ' ILE . 90.4 mtt180 -91.95 4.02 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 43.32 110.942 173.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.16 25.04 15.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.117 0.485 . . . . 73.340000000000003 111.045 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.614 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.1 mm -78.42 -44.18 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.973 -0.751 . . . . 62.200000000000003 108.973 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.5 m -136.04 163.66 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.294 -0.867 . . . . 73.329999999999998 109.797 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.529 ' HB ' HD11 ' A' ' 79' ' ' LEU . 11.1 t -142.54 147.99 36.84 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.846 0.355 . . . . 60.130000000000003 110.071 174.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.598 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 14.2 p90 -159.05 145.93 12.81 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.555 -0.535 . . . . 73.129999999999995 109.555 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 74' ' ' VAL . 32.1 Cg_exo -59.3 139.75 91.42 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.877 2.385 . . . . 73.400000000000006 112.448 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.28 -164.53 53.56 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.866 -0.683 . . . . 74.109999999999999 112.148 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.532 ' HG3' ' HE3' ' A' ' 51' ' ' LYS . 8.7 tp10 -147.71 -34.5 0.24 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.018 0.437 . . . . 73.319999999999993 110.372 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 tp -109.75 90.93 3.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.13 0.49 . . . . 64.209999999999994 110.653 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 74' ' ' VAL . 91.0 mt -104.35 85.66 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.012 -0.54 . . . . 74.219999999999999 110.631 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.4 mt -105.28 -44.56 4.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.105 -0.498 . . . . 75.140000000000001 110.877 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -74.41 168.13 20.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.173 -0.467 . . . . 70.540000000000006 111.158 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.66 14.63 5.47 Favored Glycine 0 CA--C 1.52 0.382 0 CA-C-N 116.038 -0.528 . . . . 61.340000000000003 114.057 -171.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.21 -4.28 9.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.922 0.868 . . . . 75.349999999999994 109.829 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.401 ' CG ' ' HD2' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -83.47 2.35 37.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.499 -0.773 . . . . 63.439999999999998 111.745 -174.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 8.7 p-10 -71.13 -31.45 67.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.219 0.451 . . . . 43.43 112.219 -169.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 17.6 t70 -94.36 1.85 55.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.086 0.469 . . . . 74.5 110.889 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 62' ' ' PRO . 21.1 t -75.11 114.74 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 70.340000000000003 110.577 -177.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.69 117.75 21.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.62 0.247 . . . . 75.409999999999997 110.412 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.12 108.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.885 -1.154 . . . . 70.219999999999999 107.885 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.7 mt -96.02 124.77 48.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.248 0.547 . . . . 75.430000000000007 111.444 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.97 111.17 16.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.216 -0.902 . . . . 75.200000000000003 109.595 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.529 HD11 ' HB ' ' A' ' 60' ' ' THR . 78.0 mt -86.46 -38.67 17.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.93 -0.577 . . . . 74.319999999999993 110.499 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -102.67 131.22 49.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.149 -0.478 . . . . 72.140000000000001 109.735 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.594 ' OD2' ' HA ' ' A' ' 84' ' ' HIS . 60.5 t0 -115.25 103.46 10.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.94 -0.763 . . . . 73.340000000000003 108.94 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.7 tp -79.62 -57.29 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.822 -0.627 . . . . 75.340000000000003 111.257 -173.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.5 -26.2 41.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.495 -0.775 . . . . 65.209999999999994 110.908 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.594 ' HA ' ' OD2' ' A' ' 81' ' ' ASP . 91.6 m-70 59.12 76.48 0.35 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.383 0.611 . . . . 51.43 110.244 -174.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--O 1.242 0.689 0 CA-C-N 115.053 -0.976 . . . . 62.329999999999998 109.606 -173.416 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.9 mtm . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.862 0.363 . . . . 72.120000000000005 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.547 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 16.4 m120 -95.86 127.06 41.56 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.223 -1.028 . . . . 32.439999999999998 108.223 173.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.608 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.2 p -53.92 -34.45 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 111.62 0.23 . . . . 75.200000000000003 111.62 -172.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.45 -41.06 88.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.168 0.508 . . . . 72.019999999999996 110.659 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -79.75 -26.64 40.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.885 -0.598 . . . . 63.530000000000001 110.123 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 5.3 mm-40 -66.81 -29.71 69.72 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.786 -0.45 . . . . 74.109999999999999 109.786 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 3' ' ' VAL . 46.2 t -64.72 -37.61 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.232 0.539 . . . . 71.530000000000001 109.792 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -64.35 -37.75 88.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.898 -0.778 . . . . 65.349999999999994 108.898 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 60.0 tp -63.64 -39.25 93.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.73 -0.668 . . . . 74.409999999999997 109.558 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 50' ' ' LEU . 61.0 tp -60.68 -50.64 72.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.389 -0.823 . . . . 74.109999999999999 111.122 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 14' ' ' ILE . 16.5 m -66.15 -29.55 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 70.140000000000001 111.304 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 46.0 mt-10 -61.97 -43.18 99.37 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-O 120.823 0.345 . . . . 62.539999999999999 110.217 174.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.12 -35.01 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 55.439999999999998 111.012 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 11' ' ' VAL . 85.8 mt -63.02 -37.02 78.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.312 0.577 . . . . 72.25 109.904 174.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -70.58 -30.41 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.797 -0.638 . . . . 74.010000000000005 111.426 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -84.67 -44.5 13.36 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.101 0.408 . . . . 71.5 112.101 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD12 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -105.06 -2.61 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.693 0.256 . . . . 73.219999999999999 111.693 -175.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.01 -176.82 24.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.513 -0.851 . . . . 44.0 112.89 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -144.32 156.6 44.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.608 -0.515 . . . . 34.030000000000001 109.608 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -83.9 135.99 34.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.322 0.582 . . . . 72.120000000000005 111.41 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -87.93 -176.04 5.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.231 -0.895 . . . . 64.140000000000001 110.242 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -14.34 62.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.396 . . . . 63.310000000000002 112.068 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -87.65 -13.63 42.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.967 0.413 . . . . 71.129999999999995 110.343 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.51 3.79 61.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 55.0 111.96 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -96.97 148.44 22.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.765 0.317 . . . . 72.040000000000006 110.54 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.76 146.64 47.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.168 0.509 . . . . 51.200000000000003 110.357 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -143.23 142.09 31.29 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.875 -0.787 . . . . 64.25 108.875 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 33' ' ' LEU . 7.1 p -139.87 142.23 32.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 110.15 -0.315 . . . . 63.329999999999998 110.15 -177.413 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HB2' HG23 ' A' ' 32' ' ' VAL . 74.9 mmtt -72.46 131.02 42.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.016 0.436 . . . . 73.329999999999998 110.51 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.686 ' HD2' ' HB3' ' A' ' 71' ' ' HIS . 65.5 t80 -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.23 -0.896 . . . . 71.019999999999996 110.333 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.658 ' HA3' ' HA ' ' A' ' 72' ' ' ASP . . . -58.82 -36.22 86.02 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.569 -0.741 . . . . 62.439999999999998 112.555 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.609 HG23 ' HB2' ' A' ' 29' ' ' LYS . 58.3 t -71.1 -48.03 57.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.818 -0.438 . . . . 74.420000000000002 109.818 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD23 HD12 ' A' ' 17' ' ' LEU . 20.9 mt -62.44 -47.61 83.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.604 -0.725 . . . . 75.109999999999999 111.272 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.87 -40.05 94.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.304 -0.407 . . . . 72.239999999999995 110.884 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -69.38 -51.71 34.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.134 -0.484 . . . . 70.299999999999997 111.344 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.52 -37.55 80.12 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.795 0.331 . . . . 74.439999999999998 110.513 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.29 -49.08 75.42 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.091 -0.504 . . . . 74.329999999999998 111.348 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 34.4 mmtm -69.73 -13.92 62.53 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.615 -0.434 . . . . 73.540000000000006 111.248 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 t -87.9 -25.19 23.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.917 0.389 . . . . 63.509999999999998 110.911 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.32 -30.68 9.0 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.916 0.389 . . . . 74.140000000000001 111.797 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 69.94 51.36 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.171 0.988 . . . . 52.329999999999998 110.892 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -82.28 -48.71 10.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.249 -0.887 . . . . 74.25 109.902 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -118.14 98.24 6.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.59 -0.732 . . . . 74.099999999999994 109.318 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.12 -46.48 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.505 -0.554 . . . . 73.510000000000005 109.505 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.16 84.1 1.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.915 -0.584 . . . . 70.120000000000005 110.077 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.64 -39.6 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.625 . . . . 71.120000000000005 110.377 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 51.3 t -63.43 -39.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.777 -0.647 . . . . 71.109999999999999 110.627 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.45 86.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.774 -0.727 . . . . 52.219999999999999 112.163 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -58.72 -38.66 78.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 65.319999999999993 110.876 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 10' ' ' LEU . 88.5 mt -64.84 -44.52 89.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.082 -0.508 . . . . 75.319999999999993 111.283 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 14.2 mmmm -63.36 -39.48 94.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.618 0.247 . . . . 73.129999999999995 110.428 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -51.78 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.412 0.625 . . . . 62.219999999999999 110.509 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -73.62 -27.7 61.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.457 -0.792 . . . . 64.140000000000001 111.607 -177.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 59.8 tttm -72.3 -34.29 68.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.85 0.357 . . . . 74.140000000000001 110.215 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.96 -27.45 60.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 73.010000000000005 110.459 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -89.11 1.91 54.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.25 -0.432 . . . . 75.310000000000002 110.387 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 51.64 37.14 19.15 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 115.445 -0.798 . . . . 71.040000000000006 111.89 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 63.0 mt -82.52 -37.26 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 114.792 -1.094 . . . . 63.399999999999999 108.412 171.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -131.41 160.9 42.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.04 -0.982 . . . . 73.519999999999996 109.606 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.2 t -145.31 147.25 32.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 74.430000000000007 110.271 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 12.9 p90 -160.66 155.65 20.79 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.637 -0.875 . . . . 64.109999999999999 108.637 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.01 139.01 71.08 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.351 2.034 . . . . 64.540000000000006 113.221 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.67 -165.04 29.63 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 115.319 -0.855 . . . . 34.200000000000003 113.722 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -137.97 -23.87 1.02 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.162 0.506 . . . . 74.219999999999999 109.879 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -108.18 75.86 1.01 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.99 -0.55 . . . . 74.319999999999993 110.382 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.45 110.7 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.132 -0.486 . . . . 71.219999999999999 110.135 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.4 mt -86.17 164.63 17.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.298 -0.41 . . . . 72.420000000000002 110.739 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.443 ' HA ' ' CE1' ' A' ' 71' ' ' HIS . 25.3 tt0 -62.53 135.67 57.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 63.030000000000001 111.412 -176.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.13 -41.64 2.17 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.857 -0.687 . . . . 72.519999999999996 112.804 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 74' ' ' VAL . 34.9 m -97.03 -1.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 112.337 0.495 . . . . 71.409999999999997 112.337 -175.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.686 ' HB3' ' HD2' ' A' ' 30' ' ' PHE . 39.8 m80 -65.35 -44.02 89.02 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.009 0.374 . . . . 75.319999999999993 112.009 -172.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.658 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 20.9 t70 -60.07 -38.51 83.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.047 0.758 . . . . 75.120000000000005 113.047 -168.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.431 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 23.5 t0 -97.3 6.67 47.97 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.32 -0.552 . . . . 74.540000000000006 111.668 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 70' ' ' VAL . 39.8 t -75.24 116.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 50.140000000000001 110.271 176.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.28 116.39 22.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 63.030000000000001 110.708 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.8 mm -86.26 108.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.975 -1.12 . . . . 72.420000000000002 107.975 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -94.01 128.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 72.329999999999998 111.028 -173.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.2 tp -85.3 110.55 19.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.813 -0.631 . . . . 64.340000000000003 109.963 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.92 -42.39 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.252 0.549 . . . . 74.420000000000002 110.184 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.555 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 47.8 tt0 -108.7 130.94 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.391 -0.822 . . . . 70.120000000000005 108.983 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -115.4 109.43 17.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.131 0.491 . . . . 43.299999999999997 110.341 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -95.64 -39.45 9.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.551 -0.75 . . . . 74.519999999999996 109.659 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' A' ' 12' ' ' GLU . 11.7 tp10 -83.08 82.15 8.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.653 -0.703 . . . . 71.510000000000005 109.371 -177.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -141.07 1.97 1.68 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.681 -0.69 . . . . 75.209999999999994 110.722 -173.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.458 -0.782 . . . . 74.140000000000001 110.301 -178.229 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.753 0.311 . . . . 73.140000000000001 110.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 5.6 m-20 -100.98 116.1 32.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.414 -0.587 . . . . 75.5 109.414 177.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.8 p -56.01 -35.31 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 112.988 0.736 . . . . 63.219999999999999 112.988 -169.037 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.58 -36.8 83.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.893 0.378 . . . . 70.420000000000002 110.632 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -67.98 -40.01 83.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 73.030000000000001 110.463 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 4.5 mm-40 -57.09 -42.28 80.42 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.458 0.474 . . . . 60.210000000000001 110.201 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 3' ' ' VAL . 94.0 t -60.07 -47.17 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 115.994 -0.548 . . . . 72.450000000000003 111.419 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.7 t30 -70.56 -37.55 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 73.030000000000001 110.103 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 42' ' ' LEU . 66.3 tp -60.07 -40.35 89.2 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.433 -0.58 . . . . 74.420000000000002 109.433 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 49' ' ' THR . 53.3 tp -57.85 -51.48 69.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.451 -0.795 . . . . 63.32 110.946 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 82' ' ' LEU . 19.6 m -66.42 -30.19 49.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.421 -0.354 . . . . 74.319999999999993 111.329 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 43.5 mt-10 -67.8 -45.15 75.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.926 0.393 . . . . 73.219999999999999 110.216 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 30.6 mm-40 -64.83 -37.77 88.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.997 -0.547 . . . . 73.439999999999998 111.205 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 10' ' ' LEU . 77.6 mt -63.82 -33.65 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 61.119999999999997 110.11 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -63.78 -39.88 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.519999999999996 111.637 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' OE1' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -87.24 -36.62 17.85 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.913 0.338 . . . . 74.239999999999995 111.913 -177.002 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.5 tp -93.43 -18.96 21.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.074 0.398 . . . . 61.409999999999997 112.074 -170.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.05 -171.56 32.57 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.478 -0.868 . . . . 71.25 113.151 -174.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -143.49 155.69 44.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.628 -0.878 . . . . 74.409999999999997 108.628 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -83.57 134.97 34.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.437 0.637 . . . . 54.299999999999997 111.481 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -81.26 178.0 8.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.091 -0.959 . . . . 64.329999999999998 110.324 178.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.27 -13.56 62.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.228 0.537 . . . . 73.439999999999998 110.254 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.61 -18.32 54.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.448 -0.796 . . . . 71.219999999999999 109.485 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.46 65.41 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.792 -0.64 . . . . 73.129999999999995 112.253 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 55.5 mttp -98.88 151.76 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.769 -0.253 . . . . 65.540000000000006 111.039 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.52 146.48 46.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 53.439999999999998 110.718 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.53 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 30.6 t -144.25 152.5 40.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.777 -0.453 . . . . 64.109999999999999 109.777 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.84 141.65 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.952 -0.299 . . . . 61.409999999999997 111.064 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 3.1 mmmp? -62.28 136.55 57.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.562 0.22 . . . . 71.519999999999996 110.786 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.28 -42.59 77.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.502 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -62.54 -35.55 91.94 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.734 -0.667 . . . . 62.219999999999999 112.987 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 29' ' ' LYS . 76.9 t -69.45 -47.8 70.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.907 0.384 . . . . 73.310000000000002 110.39 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.3 tt -62.36 -45.76 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 63.229999999999997 109.725 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.549 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 54.3 t80 -60.88 -45.13 95.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 75.209999999999994 110.663 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -58.87 -50.8 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 73.329999999999998 111.653 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.91 -38.41 79.55 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.094 -0.336 . . . . 75.530000000000001 110.094 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.15 -49.79 70.92 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.4 -0.364 . . . . 64.420000000000002 110.848 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 28.2 mtpp -57.1 -14.03 3.5 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.874 0.694 . . . . 73.239999999999995 112.874 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -65.59 -37.0 85.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 72.129999999999995 110.145 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.85 -17.82 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 25.129999999999999 111.087 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 43.3 m-20 53.32 68.99 0.75 Allowed 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.916 0.865 . . . . 71.109999999999999 109.81 -170.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.1 mt -80.39 -35.76 34.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.422 -1.263 . . . . 73.329999999999998 109.515 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -97.8 114.54 26.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.441 -0.799 . . . . 74.409999999999997 109.764 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.93 -44.59 91.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 65.340000000000003 109.857 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.7 95.2 3.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.302 -0.863 . . . . 61.219999999999999 109.776 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 54.4 tp -57.65 -37.83 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 72.450000000000003 111.305 -176.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.06 -42.59 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 61.109999999999999 110.692 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.23 -42.32 94.29 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.156 -0.545 . . . . 72.120000000000005 111.902 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.62 HG22 HD22 ' A' ' 10' ' ' LEU . 8.8 m -57.24 -40.93 78.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.931 0.396 . . . . 71.109999999999999 110.728 175.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.7 mt -65.02 -45.6 84.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.003 -0.544 . . . . 75.299999999999997 110.491 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -53.69 -45.72 70.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.04 -0.527 . . . . 73.230000000000004 111.013 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.01 73.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.715 -0.675 . . . . 42.109999999999999 111.474 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -26.93 61.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.077 -0.51 . . . . 61.549999999999997 111.734 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 63.2 tttm -70.36 -38.75 74.85 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 74.209999999999994 110.458 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -72.77 -26.59 61.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.75 0.309 . . . . 54.149999999999999 110.925 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.07 3.03 40.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 75.010000000000005 110.489 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 58.91 28.87 18.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.639 -0.71 . . . . 71.129999999999995 111.452 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.688 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.9 mt -85.2 -36.54 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.35 -0.841 . . . . 74.530000000000001 109.843 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.53 161.37 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.189 -0.459 . . . . 64.150000000000006 110.225 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.638 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.1 t -141.93 147.67 37.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.15 0.5 . . . . 73.349999999999994 110.503 175.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.467 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 5.0 p90 -161.77 140.91 7.42 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.569 -0.901 . . . . 62.200000000000003 108.569 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.732 ' HD2' HG13 ' A' ' 74' ' ' VAL . 73.9 Cg_exo -49.3 138.56 29.57 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.802 2.334 . . . . 73.209999999999994 112.835 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.44 -163.26 54.22 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.891 -0.671 . . . . 64.349999999999994 111.511 -175.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -155.85 13.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.73 0.776 . . . . 74.129999999999995 109.798 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.5 tp -157.56 130.16 7.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.166 -0.924 . . . . 74.230000000000004 110.027 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 pp -154.75 132.47 11.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.351 -0.386 . . . . 73.140000000000001 110.14 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 tt -134.6 -30.63 1.11 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.085 -0.507 . . . . 75.150000000000006 110.113 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.413 ' H ' ' CD ' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -60.7 -33.31 72.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 64.239999999999995 111.418 -175.827 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.73 -0.3 57.88 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.606 -0.807 . . . . 53.409999999999997 112.371 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -76.51 -1.28 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 74.310000000000002 111.82 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.67 16.43 23.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.225 -0.443 . . . . 71.239999999999995 111.697 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.481 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 3.7 t70 -54.78 -32.52 60.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.114 0.483 . . . . 72.239999999999995 111.502 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.549 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.0 p-10 -85.64 8.5 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 75.129999999999995 111.207 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.732 HG13 ' HD2' ' A' ' 62' ' ' PRO . 40.6 t -82.9 125.65 40.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.177 0.513 . . . . 73.109999999999999 109.902 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 33.9 m-20 -91.09 126.17 36.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.583 -0.735 . . . . 74.549999999999997 109.99 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -85.77 108.54 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.77 -0.826 . . . . 75.340000000000003 108.77 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -94.41 129.73 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.231 -0.44 . . . . 65.230000000000004 110.976 -174.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 27.5 tp -81.87 110.77 17.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.645 -0.707 . . . . 64.219999999999999 109.557 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.638 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.6 mt -89.77 -29.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.292 -0.413 . . . . 72.530000000000001 110.966 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.688 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -128.55 131.9 48.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.352 -0.61 . . . . 72.409999999999997 109.352 -175.804 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -115.47 98.86 6.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.238 0.542 . . . . 74.5 111.598 -174.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.833 HD23 ' H ' ' A' ' 82' ' ' LEU . 2.3 pt? -98.35 -10.06 24.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.588 -0.733 . . . . 71.239999999999995 110.004 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -85.27 79.73 9.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.807 -0.633 . . . . 71.219999999999999 109.519 -176.263 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -107.51 133.47 51.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.661 -0.7 . . . . 73.239999999999995 110.975 -173.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.711 -0.662 . . . . 72.5 109.275 177.487 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.714 0.292 . . . . 73.430000000000007 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -71.62 113.13 8.33 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.222 -0.444 . . . . 75.25 111.18 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.0 p -63.88 -26.17 39.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.796 -0.638 . . . . 64.450000000000003 109.58 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.33 -38.3 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.753 -0.658 . . . . 75.530000000000001 110.386 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -72.71 -33.62 66.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 72.230000000000004 109.654 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.33 -38.43 91.02 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.068 -0.515 . . . . 71.219999999999999 110.143 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.5 t -63.41 -42.12 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 73.430000000000007 110.939 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.22 -31.78 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.348 0.594 . . . . 72.439999999999998 110.154 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 42' ' ' LEU . 63.8 tp -71.0 -39.43 72.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.842 -0.617 . . . . 73.430000000000007 109.603 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.673 HD22 HG22 ' A' ' 49' ' ' THR . 58.7 tp -57.56 -51.8 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.529 -0.76 . . . . 74.099999999999994 110.548 178.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.553 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 27.8 m -61.13 -35.35 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 65.340000000000003 110.745 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -45.54 86.25 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.94 0.4 . . . . 74.010000000000005 110.218 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' HB3' HD21 ' A' ' 33' ' ' LEU . 51.8 mm-40 -64.39 -30.86 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 70.209999999999994 111.245 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 10' ' ' LEU . 78.2 mt -69.0 -34.12 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.829 0.347 . . . . 72.340000000000003 110.116 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 33.5 m-70 -70.63 -34.03 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.958 0.409 . . . . 71.219999999999999 110.601 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -81.36 -49.21 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.656 0.613 . . . . 65.340000000000003 112.656 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD12 HD22 ' A' ' 33' ' ' LEU . 88.9 mt -101.27 -12.05 19.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.787 0.327 . . . . 70.219999999999999 111.141 -174.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.44 159.81 26.36 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.612 -0.804 . . . . 74.439999999999998 112.924 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -120.64 157.41 29.63 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.022 -1.103 . . . . 51.299999999999997 108.022 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -76.41 135.99 39.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.245 1.021 . . . . 73.239999999999995 111.833 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 9.6 t-20 -72.61 -177.67 2.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.118 -1.855 . . . . 63.420000000000002 110.416 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.29 -24.79 59.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.768 0.794 . . . . 71.150000000000006 109.256 173.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -80.47 -17.12 52.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.526 -1.216 . . . . 64.129999999999995 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.76 2.25 61.41 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.841 -0.695 . . . . 71.340000000000003 111.932 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 62.5 mttp -88.96 141.42 28.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.615 -0.292 . . . . 71.120000000000005 110.561 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 14' ' ' ILE . 4.0 mm? -66.33 136.44 55.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.019 -0.363 . . . . 72.349999999999994 110.019 175.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 m -143.31 142.03 31.18 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.781 0.324 . . . . 64.439999999999998 110.365 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.75 137.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.146 -0.479 . . . . 62.009999999999998 109.799 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.99 137.27 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.88 -0.328 . . . . 65.230000000000004 110.211 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.2 t80 -52.64 -37.52 58.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 63.439999999999998 111.202 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.2 95.11 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.13 -0.557 . . . . 31.420000000000002 112.81 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.77 -44.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 72.120000000000005 110.421 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 17' ' ' LEU . 2.2 tm? -63.06 -46.31 88.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 74.129999999999995 110.113 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 52.3 t80 -64.23 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 70.230000000000004 110.284 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -57.19 -48.09 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 71.420000000000002 110.949 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -36.82 76.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.882 -0.599 . . . . 74.150000000000006 110.508 -175.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.54 -31.62 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.140000000000001 110.896 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 57.1 mtpt -66.17 -26.64 67.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.369 . . . . 55.329999999999998 110.706 176.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m -87.84 -47.35 8.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 73.030000000000001 111.144 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.14 -30.07 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.185 0.439 . . . . 60.240000000000002 112.185 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 61.55 57.64 2.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.38 0.609 . . . . 61.020000000000003 110.405 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.828 ' HB3' HD21 ' A' ' 9' ' ' LEU . 97.0 mt -82.3 -46.78 13.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 73.030000000000001 111.31 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CD2' HD13 ' A' ' 46' ' ' LEU . 70.4 m-85 -95.28 123.06 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 72.109999999999999 110.856 -173.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -71.85 -34.24 69.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.174 -0.466 . . . . 72.140000000000001 109.783 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.78 84.35 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 72.400000000000006 110.332 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.502 HD23 ' HD1' ' A' ' 34' ' ' PHE . 46.3 tp -61.7 -41.74 98.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.739 0.304 . . . . 73.030000000000001 111.424 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.08 -36.24 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 74.299999999999997 110.265 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -38.0 76.49 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.971 -0.633 . . . . 41.130000000000003 111.64 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.673 HG22 HD22 ' A' ' 10' ' ' LEU . 6.6 m -58.56 -45.63 88.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.024 0.44 . . . . 64.540000000000006 110.183 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.31 -51.32 69.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.563 -0.744 . . . . 72.319999999999993 110.811 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 26.8 mmmt -56.26 -48.34 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 72.329999999999998 111.22 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 56' ' ' ARG . . . -57.58 -53.6 56.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.65 . . . . 61.149999999999999 111.404 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -68.3 -38.43 81.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.088 -0.506 . . . . 74.400000000000006 111.928 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 80.9 tttt -63.35 -46.74 85.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.958 0.408 . . . . 75.420000000000002 110.314 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 17.9 mmt180 -76.78 -15.21 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.08 -0.509 . . . . 65.329999999999998 111.365 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.66 ' HD3' HD11 ' A' ' 58' ' ' ILE . 11.9 ttt180 -90.25 1.69 56.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.269 -0.423 . . . . 74.140000000000001 110.165 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.04 28.34 12.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.26 -0.882 . . . . 64.409999999999997 111.244 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.78 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 83.6 mt -91.92 -36.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.231 -0.895 . . . . 71.409999999999997 110.229 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 m -137.52 163.19 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.27 -0.423 . . . . 65.209999999999994 109.876 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.654 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.2 t -140.11 146.5 38.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.85 -0.426 . . . . 60.229999999999997 109.85 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -166.87 147.42 5.07 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.566 -0.743 . . . . 71.049999999999997 109.409 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.36 140.2 93.57 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.538 2.159 . . . . 74.519999999999996 111.683 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.74 142.44 8.59 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.99 -0.624 . . . . 73.219999999999999 112.421 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -103.82 -26.43 12.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.439 0.638 . . . . 65.439999999999998 109.311 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -146.61 111.71 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.105 -1.072 . . . . 71.540000000000006 108.105 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.0 mp -120.71 176.51 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.122 0.487 . . . . 63.340000000000003 111.278 -173.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.687 HD23 ' H ' ' A' ' 67' ' ' LEU . 1.4 pt? -109.47 -154.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.221 -0.9 . . . . 64.239999999999995 110.039 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -87.65 -72.66 0.51 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.541 -0.3 . . . . 71.319999999999993 111.14 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.76 -46.16 39.42 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 115.158 0.823 . . . . 51.310000000000002 115.158 -169.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 t -82.23 -7.99 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.198 0.523 . . . . 44.439999999999998 111.064 -174.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.2 t60 -106.06 -16.33 14.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.479 -0.328 . . . . 73.120000000000005 111.313 -173.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.81 -38.36 78.44 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.292 0.479 . . . . 72.129999999999995 112.292 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -91.75 1.91 56.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 61.130000000000003 111.092 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.34 125.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.148 -0.478 . . . . 74.530000000000001 110.608 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -84.28 120.14 25.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.438 -0.801 . . . . 74.030000000000001 110.359 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.44 116.9 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.858 -0.793 . . . . 72.519999999999996 108.858 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.47 128.82 52.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.82 0.343 . . . . 64.450000000000003 111.274 -173.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -80.35 122.51 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 64.310000000000002 110.364 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.654 HD11 ' HB ' ' A' ' 60' ' ' THR . 92.3 mt -99.4 -36.62 9.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 62.439999999999998 110.573 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.78 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 6.0 tt0 -127.9 133.54 49.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.822 -0.626 . . . . 72.239999999999995 109.768 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' ' 84' ' ' HIS . 41.3 t0 -96.79 96.1 8.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.32 -0.622 . . . . 72.200000000000003 109.32 177.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.14 -65.74 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 63.219999999999999 110.8 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.51 -64.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.593 -0.73 . . . . 61.140000000000001 110.289 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' HA ' ' OD2' ' A' ' 81' ' ' ASP . 25.7 t-80 65.95 150.1 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.674 0.609 . . . . 60.030000000000001 111.017 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 p80 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.959 -0.543 . . . . 75.439999999999998 110.11 176.33 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.678 0.275 . . . . 75.109999999999999 110.768 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 11.5 t-20 -71.12 115.34 10.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.433 -0.58 . . . . 73.409999999999997 109.433 174.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.6 p -55.5 -33.36 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.704 0.631 . . . . 63.009999999999998 112.704 -170.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.502 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 14.4 m-20 -56.58 -48.39 77.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.43 0.633 . . . . 73.420000000000002 109.729 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.04 -37.2 78.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.212 -0.903 . . . . 75.519999999999996 110.776 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 4.7 mm-40 -58.31 -41.94 85.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 62.229999999999997 110.278 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 3' ' ' VAL . 61.2 t -62.69 -47.4 93.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 73.329999999999998 110.518 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -60.08 -41.92 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 64.409999999999997 110.023 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -62.12 -45.28 94.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.614 -0.721 . . . . 74.140000000000001 110.458 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.575 HD21 HD23 ' A' ' 50' ' ' LEU . 56.1 tp -56.75 -47.74 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 71.299999999999997 110.122 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.983 HG11 ' HB3' ' A' ' 82' ' ' LEU . 66.4 t -59.5 -42.61 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.495 -0.775 . . . . 75.319999999999993 110.949 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 43.7 mt-10 -60.08 -49.5 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 74.230000000000004 110.963 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 58.9 mm-40 -61.22 -45.65 93.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 73.010000000000005 111.115 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' A' ' 78' ' ' LEU . 67.0 mt -63.91 -33.87 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 64.310000000000002 110.437 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.705 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.2 t-80 -67.32 -42.69 83.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 110.935 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' NH2' ' HB3' ' A' ' 12' ' ' GLU . 7.1 ptp85 -86.38 -38.12 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.261 0.467 . . . . 73.329999999999998 112.261 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -87.98 -10.79 49.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 64.420000000000002 111.21 -175.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.48 -175.29 26.11 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.736 -0.745 . . . . 33.210000000000001 112.801 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.4 t -145.47 148.84 33.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.802 -0.814 . . . . 55.200000000000003 108.802 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 63.2 mttm -80.84 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.313 0.578 . . . . 71.409999999999997 111.283 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -81.42 -170.74 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.962 -1.017 . . . . 62.009999999999998 110.951 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.52 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 71.319999999999993 111.819 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -84.49 -15.66 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 75.230000000000004 110.045 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.69 8.29 58.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.917 -0.659 . . . . 65.030000000000001 112.168 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 47.4 mmtm -98.63 147.04 25.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.041 0.448 . . . . 71.319999999999993 110.277 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.705 HD13 ' HA ' ' A' ' 15' ' ' HIS . 40.7 mt -80.08 144.93 32.71 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.742 -0.663 . . . . 75.019999999999996 109.984 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.0 m -143.29 142.25 31.28 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 110.148 -0.315 . . . . 74.25 110.148 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 14' ' ' ILE . 8.0 p -146.53 137.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.011 -0.737 . . . . 62.130000000000003 109.011 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -77.12 144.14 38.66 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.534 -0.467 . . . . 72.25 110.751 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . 86.6 t80 -51.89 -42.05 62.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.134 -0.939 . . . . 75.200000000000003 111.759 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -33.83 87.76 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.237 -0.506 . . . . 50.109999999999999 112.869 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.61 -46.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 72.530000000000001 110.481 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.59 -43.26 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.629 . . . . 71.150000000000006 109.821 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -62.83 -30.41 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 74.209999999999994 111.196 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.01 -48.09 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.977 0.418 . . . . 73.230000000000004 110.684 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 74.099999999999994 110.41 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.51 -38.89 88.99 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.021 -0.536 . . . . 74.049999999999997 111.558 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 38' ' ' LYS . 6.1 tmtt? -55.85 -40.29 72.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 62.020000000000003 110.428 -177.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.2 t -71.16 -41.9 69.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.036 -0.529 . . . . 73.219999999999999 111.861 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.88 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.028 0.381 . . . . 64.310000000000002 112.028 -173.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 57.76 63.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.55 0.69 . . . . 74.040000000000006 109.88 -171.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.4 -48.56 12.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.088 -0.96 . . . . 55.25 109.24 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CD2' HD13 ' A' ' 46' ' ' LEU . 33.6 m-85 -100.07 102.6 13.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.609 -0.723 . . . . 74.510000000000005 109.678 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.12 -40.32 76.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.429 0.633 . . . . 73.019999999999996 109.822 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.46 84.62 2.23 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.306 -0.861 . . . . 71.140000000000001 109.32 172.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 43' ' ' PHE . 34.7 tp -56.92 -37.81 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.727 -0.669 . . . . 73.329999999999998 110.777 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.2 p -63.61 -31.11 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 72.409999999999997 110.848 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.61 -45.83 43.08 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.914 -0.66 . . . . 61.43 111.687 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD22 ' A' ' 10' ' ' LEU . 5.5 m -58.07 -44.57 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 73.430000000000007 110.553 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.575 HD23 HD21 ' A' ' 10' ' ' LEU . 96.5 mt -60.47 -47.03 87.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.226 -0.443 . . . . 53.210000000000001 110.39 176.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 51' ' ' LYS . 9.2 tppt? -53.99 -46.87 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.891 -0.595 . . . . 73.420000000000002 110.832 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.92 -53.49 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 74.319999999999993 111.114 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -71.07 -32.91 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.913 -0.585 . . . . 65.140000000000001 111.61 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 87.0 tttt -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.0 0.428 . . . . 72.340000000000003 110.696 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -77.07 -13.66 59.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.131 -0.486 . . . . 64.040000000000006 110.935 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -93.07 -0.29 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 71.140000000000001 110.83 170.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 62.13 30.12 17.71 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.919 -0.582 . . . . 74.129999999999995 111.589 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.515 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 62.7 mt -85.61 -39.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.08 -0.711 . . . . 65.209999999999994 109.08 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 29.6 m -131.69 169.1 22.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.147 -0.933 . . . . 74.150000000000006 109.607 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -151.04 147.31 26.96 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.562 -0.533 . . . . 52.049999999999997 109.562 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 10.6 p90 -157.29 133.52 6.14 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.012 0.434 . . . . 62.140000000000001 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 16.2 Cg_exo -69.67 156.27 64.05 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.466 2.777 . . . . 61.240000000000002 112.587 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.48 -60.25 0.91 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.914 -0.66 . . . . 64.010000000000005 112.643 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 71.41 -56.42 0.63 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.596 0.758 . . . . 71.549999999999997 111.292 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.12 -52.13 38.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.404 . . . . 71.310000000000002 110.322 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.0 mt 67.5 167.28 0.24 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.216 -0.902 . . . . 62.539999999999999 112.478 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 70' ' ' VAL . 79.8 mt -148.98 131.38 15.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.801 -1.09 . . . . 55.420000000000002 108.397 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -55.12 128.2 32.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.231 0.539 . . . . 73.230000000000004 111.94 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.18 -33.45 4.5 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.804 -0.635 . . . . 41.32 113.688 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 18.5 m -94.7 -19.56 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 117.391 0.596 . . . . 63.299999999999997 111.302 -170.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -117.25 14.53 14.82 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.536 -0.465 . . . . 60.130000000000003 111.828 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.459 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 1.1 m-20 -68.01 -14.6 63.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.493 0.663 . . . . 74.019999999999996 109.904 175.144 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.64 4.42 52.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.491 -0.777 . . . . 71.420000000000002 110.084 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -78.77 130.9 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 52.32 110.451 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.51 119.88 21.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.462 -0.79 . . . . 73.030000000000001 110.666 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mm -89.48 112.88 25.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.383 -0.969 . . . . 65.519999999999996 108.383 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.13 127.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.942 0.401 . . . . 74.319999999999993 111.195 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.652 HD23 HD12 ' A' ' 26' ' ' LEU . 44.6 tp -89.84 110.68 21.59 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.313 -0.625 . . . . 74.310000000000002 109.313 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.87 -42.24 18.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.006 -0.543 . . . . 71.420000000000002 110.541 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 46.6 mt-30 -104.2 131.1 51.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 72.439999999999998 110.827 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.92 81.54 6.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.157 -0.474 . . . . 64.109999999999999 109.795 175.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.983 ' HB3' HG11 ' A' ' 11' ' ' VAL . 45.4 tp -61.44 -44.4 97.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.407 -0.815 . . . . 74.109999999999999 110.365 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.606 ' HG2' ' H ' ' A' ' 85' ' ' HIS . 30.2 tt0 -66.85 119.82 12.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.633 -0.712 . . . . 72.5 109.163 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -82.05 8.71 9.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.695 -0.23 . . . . 72.519999999999996 111.119 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.606 ' H ' ' HG2' ' A' ' 83' ' ' GLU . 4.5 t-160 . . . . . 0 C--O 1.249 1.051 0 O-C-N 124.051 0.844 . . . . 63.409999999999997 111.076 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.746 ' HG3' ' H ' ' A' ' 2' ' ' ASN . 12.5 tpt . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.394 -0.965 . . . . 62.340000000000003 108.394 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.746 ' H ' ' HG3' ' A' ' 1' ' ' MET . 90.6 m-20 -71.29 108.54 4.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.701 -0.852 . . . . 72.430000000000007 108.701 173.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.7 p -50.23 -34.74 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 113.846 1.054 . . . . 73.439999999999998 113.846 -160.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.49 -29.47 64.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.774 0.321 . . . . 74.340000000000003 111.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -80.43 -43.95 20.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.297 0.48 . . . . 74.420000000000002 112.297 -178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' OE1' ' HB3' ' A' ' 1' ' ' MET . 1.3 pm0 -63.07 -28.61 70.2 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 120.239 -0.584 . . . . 60.509999999999998 111.041 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 3' ' ' VAL . 97.0 t -62.18 -44.65 99.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 120.73 0.3 . . . . 73.409999999999997 110.397 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -68.38 -36.06 78.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.087 0.47 . . . . 60.100000000000001 110.237 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.674 HD21 ' HB3' ' A' ' 42' ' ' LEU . 63.9 tp -63.18 -43.71 97.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 70.409999999999997 110.036 176.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.536 HD22 HG22 ' A' ' 49' ' ' THR . 54.2 tp -57.64 -52.28 66.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.475 -0.784 . . . . 54.539999999999999 110.869 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' A' ' 83' ' ' GLU . 27.0 m -67.15 -30.02 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 73.450000000000003 111.434 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.85 -40.35 75.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.944 -0.391 . . . . 65.030000000000001 109.944 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 53.0 mm-40 -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.47 -0.332 . . . . 62.340000000000003 111.055 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.6 mt -62.84 -34.35 65.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.004 0.43 . . . . 74.409999999999997 110.191 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -70.63 -32.01 69.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 62.399999999999999 111.147 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB3' HD12 ' A' ' 17' ' ' LEU . 25.1 ttm-85 -82.24 -48.57 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 65.319999999999993 111.589 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 16' ' ' ARG . 7.6 mp -91.92 -27.33 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 72.430000000000007 111.155 -175.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 28' ' ' VAL . . . -82.41 171.76 51.82 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.975 -0.631 . . . . 70.409999999999997 112.994 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 t -134.9 157.17 47.55 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.204 -0.665 . . . . 71.310000000000002 109.204 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 mttp -77.13 134.27 38.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.307 0.575 . . . . 63.130000000000003 110.594 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -87.56 -174.45 4.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.959 -1.019 . . . . 74.319999999999993 110.264 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.4 62.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.389 -0.369 . . . . 74.129999999999995 111.719 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -89.33 -17.02 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 71.040000000000006 110.245 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 5.77 59.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.859 -0.686 . . . . 63.310000000000002 112.537 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 48.4 mttm -91.7 151.92 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.743 -0.466 . . . . 64.439999999999998 109.743 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.31 135.61 42.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 74.030000000000001 110.257 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.1 m -143.21 142.63 31.48 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 60.020000000000003 109.85 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 18' ' ' GLY . 7.1 p -142.84 137.47 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.246 -0.434 . . . . 70.109999999999999 110.221 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.814 ' HD2' ' HA ' ' A' ' 73' ' ' ASP . 14.7 mtmt -62.59 126.07 26.07 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.772 0.32 . . . . 73.150000000000006 110.215 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.7 t80 -53.21 -38.9 63.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.569 -0.741 . . . . 73.329999999999998 110.895 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.28 66.68 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.991 -0.623 . . . . 71.219999999999999 112.901 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.45 -48.2 27.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 72.129999999999995 110.293 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -39.16 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 61.43 110.282 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.472 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 33.6 t80 -62.57 -38.18 89.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.609 -0.723 . . . . 74.209999999999994 110.616 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -71.28 -39.99 71.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 75.030000000000001 110.708 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.09 -48.29 79.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 72.209999999999994 110.534 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.83 -33.91 73.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 75.5 111.702 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HE3' ' CE2' ' A' ' 34' ' ' PHE . 90.0 mttt -58.14 -25.72 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 72.25 111.645 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 t -87.63 -37.67 16.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.632 0.253 . . . . 73.329999999999998 111.097 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -32.93 12.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.422 0.527 . . . . 75.200000000000003 112.422 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 66.06 44.03 2.77 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.319 0.581 . . . . 71.420000000000002 110.794 -178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.674 ' HB3' HD21 ' A' ' 9' ' ' LEU . 89.0 mt -80.6 -44.07 19.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.856 . . . . 74.129999999999995 110.159 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.18 95.76 8.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 71.109999999999999 109.655 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.2 -48.78 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.852 -0.613 . . . . 72.340000000000003 110.434 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.37 87.76 2.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.707 -0.679 . . . . 75.109999999999999 109.445 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 48.0 tp -57.93 -40.88 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 63.420000000000002 110.998 -175.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.2 p -61.53 -37.91 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.493 -0.321 . . . . 51.420000000000002 110.338 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.78 -41.85 87.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.031 -0.604 . . . . 63.109999999999999 111.796 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.536 HG22 HD22 ' A' ' 10' ' ' LEU . 17.2 m -62.03 -41.06 97.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.993 0.425 . . . . 72.040000000000006 110.419 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' HE1' ' A' ' 30' ' ' PHE . 94.8 mt -62.86 -47.48 83.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 74.120000000000005 110.609 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 30.7 mmmt -59.28 -41.07 88.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.408 -0.36 . . . . 75.340000000000003 110.703 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.48 88.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.409999999999997 111.392 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.47 53.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 55.5 111.129 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.5 tttt -68.0 -37.08 81.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.279 0.562 . . . . 64.150000000000006 109.691 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.27 -34.68 75.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.5 -0.773 . . . . 73.209999999999994 110.789 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.05 9.48 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.209999999999994 111.474 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 63.74 23.78 13.6 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.87 -0.605 . . . . 74.540000000000006 110.832 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.699 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.8 mt -85.43 -42.55 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.862 -0.608 . . . . 73.439999999999998 110.633 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.39 160.85 42.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.342 -0.39 . . . . 75.129999999999995 110.294 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.643 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.2 t -134.31 146.75 50.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.02 0.438 . . . . 74.109999999999999 110.317 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 11.8 p90 -164.1 134.78 3.34 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.542 -0.754 . . . . 62.409999999999997 109.293 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 5.4 Cg_exo -79.46 138.78 14.05 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.544 2.163 . . . . 75.319999999999993 111.705 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.73 118.6 0.03 OUTLIER Glycine 0 CA--C 1.52 0.395 0 C-N-CA 121.29 -0.481 . . . . 53.43 113.67 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' HG2' ' HD3' ' A' ' 51' ' ' LYS . 27.5 mp0 -82.15 -23.55 35.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.974 0.416 . . . . 71.120000000000005 110.265 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.6 127.42 32.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 73.120000000000005 110.578 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 pp -154.67 16.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.425 -0.352 . . . . 65.310000000000002 111.535 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.24 -23.73 61.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 71.120000000000005 111.145 -174.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -89.98 10.26 24.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.161 -0.472 . . . . 61.109999999999999 111.355 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.94 73.49 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.95 -0.643 . . . . 50.409999999999997 112.456 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.2 p -84.21 -2.64 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.6 0.714 . . . . 73.239999999999995 110.849 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.55 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.0 m80 -107.17 11.05 29.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.107 -0.497 . . . . 73.439999999999998 112.035 -176.124 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.87 -39.18 93.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 73.420000000000002 110.897 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.814 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 8.1 t70 -96.0 8.84 42.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.525 . . . . 75.329999999999998 110.965 -176.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.5 t -87.57 115.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 52.039999999999999 110.308 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.9 125.32 29.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.115 -0.493 . . . . 72.030000000000001 110.26 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.44 116.91 29.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.532 -0.914 . . . . 74.319999999999993 108.532 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.43 130.18 46.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 60.210000000000001 111.407 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.6 tp -80.44 122.32 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.637 -0.71 . . . . 74.030000000000001 110.099 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.643 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.7 mt -96.74 -39.13 9.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.058 0.456 . . . . 73.129999999999995 110.576 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.699 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -122.3 131.72 54.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.164 -0.68 . . . . 63.340000000000003 109.164 -177.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -110.86 115.69 29.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.458 . . . . 65.219999999999999 112.02 -174.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.541 HD23 ' H ' ' A' ' 82' ' ' LEU . 2.3 pt? -126.99 -43.45 1.68 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.388 -0.824 . . . . 73.310000000000002 109.722 172.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.506 ' N ' ' HG ' ' A' ' 82' ' ' LEU . 41.9 tt0 59.97 -88.46 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 114.984 -1.007 . . . . 72.230000000000004 111.676 -176.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -152.82 135.31 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.215 -0.291 . . . . 75.430000000000007 110.215 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.245 0.831 0 CA-C-O 118.977 -0.535 . . . . 74.099999999999994 110.343 175.87 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.6 -0.518 . . . . 51.210000000000001 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -108.78 108.47 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.978 -1.119 . . . . 74.329999999999998 107.978 172.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.1 p -52.33 -31.68 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 123.301 0.376 . . . . 74.310000000000002 112.004 -170.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.91 -28.69 69.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.558 -0.292 . . . . 71.540000000000006 111.551 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -80.8 -41.24 23.67 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.321 -0.992 . . . . 71.5 108.321 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -41.3 92.55 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.311 -1.313 . . . . 61.219999999999999 110.89 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 3' ' ' VAL . 96.6 t -63.91 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 60.030000000000001 110.67 176.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.47 ' HA ' HG22 ' A' ' 11' ' ' VAL . 89.2 m-20 -69.4 -28.25 66.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 74.409999999999997 110.562 177.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.0 tp -69.98 -42.28 73.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.289 0.566 . . . . 74.510000000000005 109.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.533 HD22 HG22 ' A' ' 49' ' ' THR . 56.0 tp -57.1 -49.44 75.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.287 -0.87 . . . . 74.409999999999997 110.782 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 8' ' ' ASN . 30.0 m -65.52 -34.98 74.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.012 -0.275 . . . . 65.019999999999996 111.353 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.13 -40.8 98.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.887 -0.412 . . . . 75.099999999999994 109.887 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -66.14 -35.46 80.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 72.140000000000001 110.64 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' LEU . 76.1 mt -66.89 -34.17 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.018 0.437 . . . . 72.319999999999993 110.236 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.458 ' HA ' HD13 ' A' ' 26' ' ' LEU . 54.0 m80 -70.45 -31.05 68.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.96 0.41 . . . . 74.0 110.483 173.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -79.87 -48.94 12.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 64.200000000000003 111.825 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 HG12 ' A' ' 32' ' ' VAL . 81.7 mt -105.34 -3.09 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.969 0.414 . . . . 63.100000000000001 111.206 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.48 154.37 24.1 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.6 -0.809 . . . . 64.439999999999998 112.901 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -120.67 156.21 32.21 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.952 -0.759 . . . . 74.010000000000005 108.952 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -84.9 132.32 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.257 0.551 . . . . 55.240000000000002 111.539 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -81.04 173.78 12.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 72.209999999999994 109.543 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.58 -16.21 64.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.167 0.508 . . . . 73.540000000000006 110.52 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -78.57 -14.79 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.583 -0.735 . . . . 72.450000000000003 110.656 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.48 12.46 57.1 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.619 -0.801 . . . . 61.32 112.879 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -112.55 152.0 29.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 61.409999999999997 110.758 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 15' ' ' HIS . 72.2 mt -80.07 139.7 36.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 61.140000000000001 110.593 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.402 ' OG ' HG12 ' A' ' 77' ' ' ILE . 69.5 m -143.88 143.46 31.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.051 -0.522 . . . . 65.219999999999999 111.074 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.23 138.04 37.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.442 -0.799 . . . . 73.120000000000005 109.23 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' HG23 ' A' ' 32' ' ' VAL . 66.4 mttm -70.97 139.5 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.98 0.419 . . . . 72.120000000000005 111.013 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 88.8 t80 -53.91 -38.59 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 75.209999999999994 110.804 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.7 -26.73 67.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.233 -0.508 . . . . 55.439999999999998 112.917 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 29' ' ' LYS . 54.9 t -76.37 -48.5 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.472 -0.566 . . . . 74.310000000000002 109.472 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.25 -46.0 85.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.586 -0.734 . . . . 64.439999999999998 111.085 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.505 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 15.0 t80 -61.97 -32.93 73.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 72.0 110.439 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 35' ' ' ARG . 4.8 tpt85 -65.43 -52.98 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.578 -0.737 . . . . 65.430000000000007 110.984 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.19 -35.9 74.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.462 -0.335 . . . . 74.140000000000001 110.498 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.04 -39.89 93.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.454 -0.339 . . . . 74.129999999999995 111.289 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 77.2 mttt -70.4 -18.63 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.045 0.45 . . . . 73.230000000000004 110.993 178.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 61.219999999999999 111.16 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.0 -23.25 15.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.525 0.565 . . . . 75.030000000000001 112.525 -173.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 62.45 55.72 2.23 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.311 0.577 . . . . 74.409999999999997 110.574 -176.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -81.28 -41.0 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.402 -0.817 . . . . 71.109999999999999 110.314 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -113.8 99.36 7.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.789 -0.641 . . . . 75.230000000000004 109.484 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.46 -29.27 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 63.039999999999999 110.505 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.6 83.45 2.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 61.530000000000001 109.611 170.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -39.19 88.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 73.140000000000001 110.814 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 48.8 t -58.48 -43.01 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.975 -0.557 . . . . 55.219999999999999 110.435 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.16 -44.12 94.48 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.138 -0.553 . . . . 73.0 112.237 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.533 HG22 HD22 ' A' ' 10' ' ' LEU . 8.6 m -59.68 -40.36 87.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 61.439999999999998 110.674 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.97 -46.51 81.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.133 -0.485 . . . . 64.319999999999993 110.844 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 68.1 mmtt -55.51 -48.87 73.96 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.377 -0.374 . . . . 74.329999999999998 110.244 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.32 -53.36 57.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 75.540000000000006 111.17 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.9 -38.34 79.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.677 -0.692 . . . . 73.010000000000005 111.621 -176.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 82.9 tttt -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.908 0.385 . . . . 71.409999999999997 110.469 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 23.5 mmt85 -70.49 -25.97 63.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 70.329999999999998 110.54 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.673 ' HB3' HG12 ' A' ' 58' ' ' ILE . 27.5 ttt180 -85.15 1.05 49.69 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.984 -0.553 . . . . 65.340000000000003 110.276 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 63.12 25.55 14.95 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.642 -0.708 . . . . 74.340000000000003 111.491 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.673 HG12 ' HB3' ' A' ' 56' ' ' ARG . 36.2 mm -78.3 -43.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.032 -0.729 . . . . 72.519999999999996 109.032 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG12 HD12 ' A' ' 78' ' ' LEU . 31.3 m -132.67 170.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.2 -0.909 . . . . 72.319999999999993 110.317 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.642 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.1 t -146.47 150.94 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.563 -0.532 . . . . 74.319999999999993 109.563 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.518 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 9.8 p90 -162.03 141.92 7.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.082 -0.508 . . . . 72.099999999999994 109.862 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -53.58 139.65 66.28 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.497 2.131 . . . . 75.25 111.617 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.11 -160.93 41.98 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.971 -0.633 . . . . 32.420000000000002 111.931 -174.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -164.59 8.23 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.838 0.351 . . . . 73.299999999999997 110.675 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.6 mt -137.08 178.32 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 73.109999999999999 110.744 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.574 ' HG ' ' H ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -152.77 -64.56 0.16 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 74.129999999999995 110.197 177.332 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.574 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 60.2 mt 58.07 22.31 8.82 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.172 0.51 . . . . 64.0 111.512 175.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -163.68 -69.62 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.423 -0.808 . . . . 70.150000000000006 110.22 -174.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.83 -1.68 0.82 Allowed Glycine 0 C--O 1.223 -0.538 0 C-N-CA 120.611 -0.804 . . . . 22.309999999999999 112.324 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.99 -11.24 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-O 121.347 0.594 . . . . 74.25 111.898 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 74' ' ' VAL . 1.5 t60 -85.74 2.49 45.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.986 0.422 . . . . 54.229999999999997 110.394 -176.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -67.9 -36.5 80.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.829 0.677 . . . . 60.210000000000001 112.829 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.48 -7.13 59.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 44.399999999999999 110.033 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 71' ' ' HIS . 73.8 t -76.92 132.88 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.54 -0.755 . . . . 73.140000000000001 110.87 -178.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -83.44 129.23 34.98 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.047 -0.979 . . . . 74.409999999999997 110.648 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.11 116.34 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.958 -0.756 . . . . 74.030000000000001 108.958 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.402 HG12 ' OG ' ' A' ' 27' ' ' SER . 55.7 mt -99.34 130.86 47.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.308 -0.405 . . . . 74.319999999999993 111.461 -171.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD12 HG12 ' A' ' 59' ' ' VAL . 35.3 tp -84.16 121.1 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 73.219999999999999 110.284 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.642 HD11 ' HB ' ' A' ' 60' ' ' THR . 93.3 mt -94.97 -43.91 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 73.150000000000006 111.106 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.493 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 46.5 mt-30 -107.97 132.01 53.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.264 -0.426 . . . . 73.409999999999997 110.196 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -99.19 100.78 11.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.444 0.64 . . . . 64.430000000000007 110.056 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.12 -55.58 33.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.243 -0.889 . . . . 75.299999999999997 108.972 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.452 ' OE1' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -111.81 154.5 25.01 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.05 -0.977 . . . . 65.519999999999996 108.512 170.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -89.98 -89.1 0.16 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.576 -0.45 . . . . 71.420000000000002 110.575 -173.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.443 -0.789 . . . . 64.140000000000001 109.553 -179.558 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.376 -0.231 . . . . 72.420000000000002 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.623 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 51.8 m-80 -90.88 104.05 16.69 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.939 -0.763 . . . . 74.430000000000007 108.939 176.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p -71.94 -32.31 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.764 0.316 . . . . 70.099999999999994 111.057 -172.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -41.87 92.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 64.510000000000005 110.681 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -76.46 -28.29 56.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.849 -0.614 . . . . 73.109999999999999 110.905 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 97.9 mt-10 -73.19 -31.64 64.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.306 . . . . 65.219999999999999 111.152 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 3' ' ' VAL . 73.7 t -63.15 -49.16 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.788 -0.187 . . . . 52.409999999999997 111.124 178.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.512 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.9 p-10 -72.21 -30.92 65.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.578 -0.449 . . . . 62.109999999999999 110.116 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 42' ' ' LEU . 56.6 tp -60.98 -43.63 98.55 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.572 -0.529 . . . . 75.510000000000005 109.572 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 49' ' ' THR . 57.8 tp -56.54 -51.1 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.372 -0.831 . . . . 63.32 110.91 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 8' ' ' ASN . 3.5 m -66.57 -30.95 51.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 64.319999999999993 110.757 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mt-10 -72.36 -37.1 68.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.952 -0.299 . . . . 71.420000000000002 110.884 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -63.98 -36.88 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.703 -0.48 . . . . 72.209999999999994 109.703 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 10' ' ' LEU . 71.0 mt -66.33 -32.84 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 73.340000000000003 110.18 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 24.7 m170 -59.06 -35.38 73.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.901 0.382 . . . . 75.439999999999998 110.681 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -86.63 -48.59 8.18 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.078 0.399 . . . . 72.299999999999997 112.078 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -94.59 -3.11 50.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.192 0.442 . . . . 64.329999999999998 112.192 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.62 133.6 11.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.647 -0.787 . . . . 74.319999999999993 113.389 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -96.49 145.78 25.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.008 -0.738 . . . . 55.439999999999998 109.008 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -78.24 129.96 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.423 0.63 . . . . 61.229999999999997 112.37 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -87.66 177.9 6.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.173 -0.921 . . . . 71.420000000000002 109.258 171.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.56 -17.1 62.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 73.25 111.245 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB3' ' HG3' ' A' ' 25' ' ' LYS . 1.2 m-20 -78.87 -16.89 56.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.72 -0.673 . . . . 73.400000000000006 111.612 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.07 2.88 88.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.454 -1.059 . . . . 40.340000000000003 110.454 -167.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 65.0 mttp -83.71 152.8 24.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.461 -0.57 . . . . 75.409999999999997 109.461 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -97.09 125.29 41.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.969 0.414 . . . . 75.450000000000003 110.772 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.439 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 12.2 t -115.38 142.99 45.95 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.262 -0.644 . . . . 52.32 109.262 175.29 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.96 138.02 44.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 C-N-CA 120.153 -0.619 . . . . 72.109999999999999 110.332 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.639 ' HB2' HG23 ' A' ' 32' ' ' VAL . 73.5 mmtt -64.38 135.56 56.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.948 0.404 . . . . 74.420000000000002 110.352 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -56.7 -38.82 72.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 73.150000000000006 109.962 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.52 90.5 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.848 -0.691 . . . . 62.329999999999998 111.947 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' A' ' 29' ' ' LYS . 50.6 t -62.35 -46.37 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.122 0.487 . . . . 74.349999999999994 110.296 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -46.42 79.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.382 -0.827 . . . . 64.340000000000003 110.407 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -68.29 -38.88 82.11 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.318 -0.401 . . . . 74.230000000000004 111.24 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -71.48 -29.41 64.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.674 0.273 . . . . 64.400000000000006 111.028 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.79 -47.26 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.274 -0.639 . . . . 75.209999999999994 109.274 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.49 -31.16 71.72 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.185 0.517 . . . . 72.430000000000007 110.652 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -56.64 -34.0 66.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.135 0.493 . . . . 71.319999999999993 110.445 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.0 m -88.99 -34.5 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.912 -0.586 . . . . 70.019999999999996 112.277 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.46 -34.72 9.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.87 0.693 . . . . 54.219999999999999 112.87 -172.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 53.89 65.45 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.419 0.628 . . . . 43.100000000000001 111.123 -172.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 9' ' ' LEU . 88.3 mt -81.91 -31.54 31.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.266 -0.879 . . . . 74.530000000000001 109.427 177.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -113.76 121.03 42.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.416 -0.811 . . . . 72.439999999999998 109.926 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.58 -41.51 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.258 0.551 . . . . 75.219999999999999 110.025 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.9 86.85 2.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.427 -0.806 . . . . 70.230000000000004 109.622 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.85 -38.39 82.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.905 -0.589 . . . . 54.439999999999998 110.328 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 47.8 t -62.31 -32.74 55.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 72.040000000000006 110.487 177.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 -46.64 23.4 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 73.329999999999998 112.173 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.545 HG22 HD22 ' A' ' 10' ' ' LEU . 6.9 m -59.43 -44.8 92.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 61.200000000000003 110.761 176.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD23 HD21 ' A' ' 10' ' ' LEU . 95.2 mt -61.39 -35.29 77.09 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.183 -0.462 . . . . 74.129999999999995 110.395 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 6.8 tppt? -67.83 -44.38 77.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.867 -0.606 . . . . 72.310000000000002 110.689 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.18 86.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 65.530000000000001 111.073 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.72 -28.7 60.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.728 -0.669 . . . . 42.509999999999998 111.582 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 89.0 tttt -69.95 -35.85 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.113 0.482 . . . . 61.140000000000001 109.805 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -64.46 -35.92 82.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.939 -0.573 . . . . 55.439999999999998 110.771 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 99.6 mtt180 -89.04 7.54 34.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 111.591 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 56' ' ' ARG . 6.0 mptt 58.63 23.78 11.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.203 0.601 . . . . 74.200000000000003 111.069 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.727 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 90.3 mt -73.8 -42.25 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.148 -0.933 . . . . 64.299999999999997 108.852 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.7 m -135.31 159.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.291 -0.868 . . . . 53.329999999999998 109.559 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.0 t -138.06 147.54 44.17 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.468 -0.567 . . . . 65.409999999999997 109.468 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 28.2 p90 -159.89 135.61 6.03 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 115.764 -0.653 . . . . 74.030000000000001 109.701 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 4.2 Cg_exo -75.31 139.96 24.11 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.847 2.364 . . . . 64.239999999999995 111.357 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.28 87.97 1.67 Allowed Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.625 -0.798 . . . . 73.230000000000004 112.797 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -65.68 -36.06 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.298 -0.63 . . . . 53.039999999999999 109.298 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -101.43 105.19 16.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.077 -0.965 . . . . 72.540000000000006 109.33 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.698 HD23 ' H ' ' A' ' 66' ' ' LEU . 0.3 OUTLIER -83.48 -16.47 45.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.176 -0.465 . . . . 64.430000000000007 110.983 179.013 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mp 67.28 -77.56 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.905 0.753 . . . . 72.439999999999998 111.772 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -133.92 -172.84 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.224 -0.444 . . . . 72.0 109.818 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.85 40.07 2.46 Favored Glycine 0 C--O 1.223 -0.583 0 C-N-CA 121.069 -0.586 . . . . 73.109999999999999 112.413 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.9 m -97.46 -1.56 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.674 0.749 . . . . 70.219999999999999 110.183 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -85.35 16.57 3.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.911 -1.04 . . . . 74.239999999999995 111.165 -174.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.39 -40.36 59.1 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.229 0.826 . . . . 61.340000000000003 113.229 -170.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -95.49 9.01 41.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.989 0.423 . . . . 61.240000000000002 111.86 -170.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.6 121.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.091 -0.381 . . . . 75.310000000000002 110.133 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 2.5 m-20 -78.96 122.52 26.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 74.219999999999999 110.643 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.99 108.84 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.192 -1.04 . . . . 65.329999999999998 108.192 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.1 mt -96.58 121.79 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 41.340000000000003 111.426 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' HA ' HG12 ' A' ' 59' ' ' VAL . 8.7 tt -82.61 113.49 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 54.020000000000003 109.632 175.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.499 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.8 mt -89.6 -42.18 11.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.75 -0.659 . . . . 65.409999999999997 110.724 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.727 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 28.6 tt0 -121.05 131.22 54.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 74.200000000000003 109.587 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.439 ' OD2' ' HA ' ' A' ' 85' ' ' HIS . 4.4 t0 -99.05 99.66 10.71 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.472 -0.566 . . . . 72.400000000000006 109.472 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.9 tp -70.1 -28.34 65.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.625 -0.716 . . . . 70.150000000000006 111.261 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -88.03 -77.97 0.34 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.164 -0.471 . . . . 71.409999999999997 110.126 -172.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.507 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 27.3 m80 -152.65 -89.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.351 -0.611 . . . . 71.109999999999999 109.351 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 84' ' ' HIS . 37.0 t60 . . . . . 0 C--O 1.246 0.905 0 O-C-N 123.999 0.812 . . . . 60.100000000000001 109.732 171.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.866 -0.42 . . . . 72.510000000000005 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 23.5 t-20 -108.94 109.04 20.01 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.203 -0.665 . . . . 72.409999999999997 109.203 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 7' ' ' VAL . 7.4 p -61.92 -30.2 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 123.225 0.328 . . . . 63.149999999999999 111.73 -171.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -62.9 -46.21 88.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.112 0.482 . . . . 70.129999999999995 110.386 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -69.52 -32.75 71.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.99 -0.55 . . . . 61.219999999999999 110.437 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 49.4 mt-10 -67.38 -29.52 69.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 70.230000000000004 110.973 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 3' ' ' VAL . 86.4 t -61.96 -45.24 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.988 0.423 . . . . 65.409999999999997 110.535 174.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -66.48 -31.03 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 60.119999999999997 110.486 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 42' ' ' LEU . 58.2 tp -68.2 -41.55 81.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.511 -0.552 . . . . 74.200000000000003 109.511 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 49' ' ' THR . 43.0 tp -58.61 -52.03 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 62.32 110.825 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.1 -31.03 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.349999999999994 111.039 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.722 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 4.8 mm-40 -69.75 -49.78 49.8 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.358 -0.383 . . . . 62.32 111.079 176.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.02 -40.87 95.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 74.219999999999999 110.906 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.618 HG23 HG12 ' A' ' 28' ' ' VAL . 93.5 mt -59.55 -51.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 74.5 111.126 178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 1.036 ' HB2' HD13 ' A' ' 26' ' ' LEU . 4.7 p80 -71.54 -30.94 66.48 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.586 -0.445 . . . . 75.349999999999994 111.157 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -78.32 -41.45 33.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 73.409999999999997 111.735 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.86 -21.03 26.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 74.519999999999996 111.06 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.13 -165.83 40.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.687 -0.768 . . . . 73.010000000000005 113.932 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p -142.98 158.1 43.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.13 -0.535 . . . . 52.130000000000003 109.843 -176.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 45.1 mtmt -77.88 136.01 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 74.349999999999994 111.655 -178.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -86.12 171.19 11.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.123 -0.944 . . . . 63.130000000000003 108.818 170.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.6 -21.05 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.36 0.6 . . . . 72.430000000000007 110.996 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 16.4 t70 -77.97 -15.15 59.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 71.420000000000002 110.413 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.27 -1.46 67.16 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.858 -0.687 . . . . 42.350000000000001 112.232 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 53.2 mttp -85.23 151.04 24.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.351 . . . . 65.219999999999999 110.491 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.036 HD13 ' HB2' ' A' ' 15' ' ' HIS . 14.2 mt -95.58 118.69 32.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.889 -0.596 . . . . 74.140000000000001 110.312 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -122.29 144.78 48.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.415 -0.357 . . . . 73.340000000000003 110.843 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 14' ' ' ILE . 14.4 p -139.74 145.93 25.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.232 -0.44 . . . . 72.150000000000006 110.292 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 12.3 mttt -65.37 135.57 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.542 -0.299 . . . . 60.350000000000001 110.87 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' HE1' HD11 ' A' ' 50' ' ' LEU . 88.3 t80 -56.61 -41.75 77.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.019 -0.537 . . . . 61.25 110.777 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.532 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -61.1 -32.61 81.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.127 -0.558 . . . . 61.240000000000002 112.453 -178.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.7 t -68.2 -51.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 74.099999999999994 110.338 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD21 ' HE2' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -64.56 -42.33 95.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.64 . . . . 70.109999999999999 110.127 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 37.9 t80 -60.33 -41.12 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 74.420000000000002 110.583 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 36' ' ' ASP . 9.9 ttp180 -64.76 -51.83 60.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.314 0.578 . . . . 71.510000000000005 110.984 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' A' ' 35' ' ' ARG . 1.4 m-20 -69.93 -36.78 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.522 -0.763 . . . . 74.540000000000006 112.137 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.19 -36.99 84.53 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.552 -0.459 . . . . 75.400000000000006 110.689 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 84.4 mttt -59.49 -25.08 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.97 0.414 . . . . 63.119999999999997 111.158 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -83.24 -29.84 28.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.003 -0.544 . . . . 74.310000000000002 111.735 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.54 -25.92 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.283 0.475 . . . . 73.519999999999996 112.283 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 59.29 60.59 2.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.589 0.709 . . . . 71.230000000000004 110.167 -174.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.7 mt -80.63 -35.87 33.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.083 -0.962 . . . . 63.25 109.635 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' HE2' HD21 ' A' ' 33' ' ' LEU . 54.2 m-85 -101.14 129.29 47.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.166 -0.925 . . . . 74.25 109.437 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.34 -53.44 16.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.536 -0.913 . . . . 74.409999999999997 108.536 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.98 85.12 2.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.404 -0.816 . . . . 61.310000000000002 109.863 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 65.9 tp -54.32 -44.36 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 74.209999999999994 111.245 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.66 -35.2 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.339 . . . . 45.130000000000003 110.758 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.49 62.91 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.903 -0.665 . . . . 65.140000000000001 111.973 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.637 HG22 HD22 ' A' ' 10' ' ' LEU . 13.7 m -60.79 -40.5 92.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.848 0.356 . . . . 65.329999999999998 110.278 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.0 mt -62.2 -49.37 76.05 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.906 -0.588 . . . . 72.239999999999995 110.536 176.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 50.6 mmtt -55.48 -48.99 73.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.78 -0.645 . . . . 71.430000000000007 111.147 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 73.439999999999998 111.7 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -70.71 -30.44 67.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 72.109999999999999 111.365 -177.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.0 tttt -67.99 -41.3 82.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.934 -0.395 . . . . 62.020000000000003 109.934 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mmt180 -73.2 -23.67 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 72.430000000000007 111.048 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -85.13 3.47 38.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 63.420000000000002 110.605 175.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 63.55 25.03 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.908 -0.587 . . . . 72.420000000000002 110.71 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.426 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 56.7 mt -87.49 -36.21 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 44.549999999999997 110.285 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -135.84 161.88 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.475 -0.33 . . . . 73.120000000000005 110.198 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.751 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.8 t -139.58 147.04 40.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.99 0.424 . . . . 62.509999999999998 110.279 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.5 p90 -164.86 134.38 2.87 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 62.409999999999997 109.503 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.685 ' HD2' HG13 ' A' ' 74' ' ' VAL . 24.5 Cg_exo -63.85 140.21 72.31 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.817 2.345 . . . . 70.319999999999993 112.306 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.93 135.89 8.24 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.81 -0.71 . . . . 72.5 112.494 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -104.73 -14.52 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.195 0.521 . . . . 54.409999999999997 110.244 175.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.5 mt -137.13 160.07 40.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.347 -0.842 . . . . 62.25 110.418 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -158.16 149.45 21.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.42 -0.809 . . . . 65.299999999999997 109.042 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 mt -97.24 -77.16 0.5 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.081 0.467 . . . . 62.039999999999999 110.072 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.48 -169.52 1.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 71.030000000000001 109.709 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.22 38.42 2.42 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.843 -0.694 . . . . 71.319999999999993 112.51 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.8 p -76.6 -16.43 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.388 0.613 . . . . 72.239999999999995 110.395 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -80.79 16.17 1.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.794 -0.639 . . . . 73.120000000000005 111.389 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.532 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 16.7 t70 -55.02 -32.45 61.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.481 -0.327 . . . . 52.409999999999997 111.465 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.631 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 26.9 t70 -84.21 -3.16 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.4 0.619 . . . . 62.409999999999997 110.496 -175.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.685 HG13 ' HD2' ' A' ' 62' ' ' PRO . 94.4 t -83.52 121.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 52.25 109.883 176.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.75 127.78 39.64 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.103 -0.499 . . . . 72.5 109.972 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -86.43 109.26 18.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.716 -0.846 . . . . 75.530000000000001 108.716 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.0 mt -95.5 126.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.222 -0.444 . . . . 61.140000000000001 111.0 -173.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 tp -79.7 110.76 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 75.319999999999993 109.66 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.751 HD11 ' HB ' ' A' ' 60' ' ' THR . 90.9 mt -84.62 -36.44 22.0 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.922 -0.581 . . . . 73.25 110.741 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 60.5 tt0 -121.06 131.17 54.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 40.32 110.062 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 84' ' ' HIS . 27.7 t70 -88.86 105.39 17.71 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.786 -0.45 . . . . 74.510000000000005 109.786 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD12 ' HG2' ' A' ' 83' ' ' GLU . 2.3 tm? -94.3 -65.9 0.95 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.084 -0.507 . . . . 63.310000000000002 110.157 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HG2' HD12 ' A' ' 82' ' ' LEU . 8.1 mm-40 -95.96 97.43 9.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.081 -0.509 . . . . 63.549999999999997 110.125 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.467 ' HB2' ' OD2' ' A' ' 81' ' ' ASP . 41.3 t-80 -90.55 103.43 16.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.17 -0.468 . . . . 64.310000000000002 110.437 -176.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.7 m80 . . . . . 0 C--O 1.243 0.724 0 CA-C-O 118.554 -0.736 . . . . 72.129999999999995 109.449 177.481 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 ttm . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.951 -0.389 . . . . 72.019999999999996 109.951 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -70.12 118.38 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.671 -0.492 . . . . 54.210000000000001 109.671 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.3 p -60.65 -27.63 41.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.963 -0.562 . . . . 72.400000000000006 111.646 -175.397 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.07 -40.93 77.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 73.530000000000001 111.195 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.22 -39.3 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.691 -0.231 . . . . 61.32 110.694 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.87 -40.93 94.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 71.329999999999998 110.227 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 3' ' ' VAL . 55.5 t -62.59 -48.16 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.071 -0.513 . . . . 73.409999999999997 111.177 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.508 ' O ' HG22 ' A' ' 11' ' ' VAL . 84.4 m-20 -69.86 -27.82 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 62.520000000000003 110.473 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -67.04 -40.7 87.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.461 -0.57 . . . . 62.340000000000003 109.461 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.681 HD22 HG22 ' A' ' 49' ' ' THR . 50.7 tp -57.9 -49.16 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 74.319999999999993 110.999 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 8' ' ' ASN . 4.4 m -63.5 -33.39 61.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.889 -0.324 . . . . 64.030000000000001 110.458 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -65.13 -48.87 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.197 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 44.3 mm-40 -61.57 -40.01 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.909 -0.587 . . . . 54.240000000000002 110.982 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' LEU . 59.1 mt -68.18 -33.28 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 74.310000000000002 110.844 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.47 -41.64 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.837 0.351 . . . . 73.030000000000001 111.306 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.48 ' HD3' ' OE1' ' A' ' 12' ' ' GLU . 8.4 mtp-105 -86.9 -49.03 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.621 0.6 . . . . 60.219999999999999 112.621 -176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -82.68 -18.01 42.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.58 0.228 . . . . 73.230000000000004 111.507 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -81.22 162.37 44.08 Favored Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.88 -0.676 . . . . 70.25 112.866 -175.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.2 t -122.22 154.07 37.99 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.87 -0.789 . . . . 62.039999999999999 108.87 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -81.71 130.43 35.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.375 0.607 . . . . 75.099999999999994 111.125 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 p30 -87.89 -174.54 4.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.031 -0.986 . . . . 70.400000000000006 110.205 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.99 63.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 43.340000000000003 111.043 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.32 -14.95 59.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.749 -0.659 . . . . 61.240000000000002 110.692 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.58 18.06 34.09 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.884 -0.598 . . . . 71.010000000000005 112.907 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.25 166.18 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.876 0.37 . . . . 73.450000000000003 111.166 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.57 138.23 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 42.140000000000001 111.02 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 m -143.36 143.16 31.55 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.843 -0.617 . . . . 62.130000000000003 109.519 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 8.4 p -145.35 137.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.541 0.21 . . . . 64.319999999999993 110.556 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -63.05 128.87 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.628 -0.508 . . . . 63.439999999999998 109.628 174.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 66.2 t80 -54.94 -38.2 67.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 71.420000000000002 110.781 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.87 75.64 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.073 -0.584 . . . . 52.229999999999997 112.536 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.42 -47.61 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.051 0.453 . . . . 73.310000000000002 110.288 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' HE2' ' A' ' 43' ' ' PHE . 5.7 tt -65.74 -46.35 79.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.667 -0.697 . . . . 71.120000000000005 110.152 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HD1' HD13 ' A' ' 46' ' ' LEU . 81.3 t80 -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.52 . . . . 74.200000000000003 110.929 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.14 -44.29 96.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 72.430000000000007 110.567 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.17 -40.45 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 74.200000000000003 109.992 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.57 -49.45 77.74 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 116.135 -0.484 . . . . 64.230000000000004 111.049 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 26.9 mmtm -64.36 -13.66 51.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 70.319999999999993 111.773 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -87.02 -16.34 35.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.466 -0.334 . . . . 74.219999999999999 111.069 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 41' ' ' ASN . . . -120.45 -32.7 4.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.816 0.341 . . . . 71.209999999999994 111.804 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 6.9 m-20 72.83 56.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.804 0.842 . . . . 70.019999999999996 110.094 -176.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -49.49 10.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.06 -0.973 . . . . 63.100000000000001 110.602 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HE2' HD21 ' A' ' 33' ' ' LEU . 71.7 m-85 -92.41 125.16 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.886 -0.597 . . . . 72.430000000000007 110.948 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -53.48 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.376 -0.972 . . . . 71.150000000000006 108.376 174.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.64 84.75 2.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.584 -0.735 . . . . 71.540000000000006 110.269 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.45 HD13 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tt -62.42 -45.65 92.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 74.530000000000001 110.181 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.92 -42.14 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 55.420000000000002 110.824 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.82 -35.71 91.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.833 -0.699 . . . . 75.430000000000007 111.674 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.681 HG22 HD22 ' A' ' 10' ' ' LEU . 91.7 m -66.44 -39.03 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 73.329999999999998 110.748 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 30' ' ' PHE . 92.5 mt -57.62 -48.64 78.86 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.084 -0.507 . . . . 63.039999999999999 110.592 176.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 2.3 mptm? -62.31 -43.96 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 61.340000000000003 110.907 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.99 79.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 72.310000000000002 111.641 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.44 -26.15 59.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.22 -0.445 . . . . 71.140000000000001 111.388 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -75.85 -33.06 60.0 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.878 -0.416 . . . . 72.439999999999998 109.878 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 92.8 mtt-85 -69.93 -29.91 67.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.343 -0.389 . . . . 65.540000000000006 110.543 175.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.634 ' HB2' HG12 ' A' ' 58' ' ' ILE . 94.7 mtt180 -84.56 -5.07 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 74.549999999999997 110.695 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.1 mttt 60.12 33.26 21.17 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.451 0.643 . . . . 73.230000000000004 110.466 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.634 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.4 mm -78.37 -45.52 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-N 115.182 -0.917 . . . . 73.409999999999997 108.914 175.044 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.76 163.19 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.264 -0.88 . . . . 43.020000000000003 110.405 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.4 t -139.27 147.64 41.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.121 0.486 . . . . 74.219999999999999 110.425 176.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' HE2' HD21 ' A' ' 66' ' ' LEU . 7.0 p90 -160.48 136.36 6.08 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.366 -0.834 . . . . 74.030000000000001 109.238 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 14.5 Cg_exo -69.33 140.91 45.5 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.991 2.461 . . . . 63.329999999999998 112.203 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.53 106.55 3.08 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.502 -0.856 . . . . 73.25 112.779 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -14.92 52.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.272 0.558 . . . . 73.349999999999994 109.782 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.5 tp -127.5 106.98 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.533 -0.758 . . . . 72.439999999999998 109.622 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD21 ' HE2' ' A' ' 61' ' ' TYR . 3.3 mm? -82.5 111.2 18.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.086 0.47 . . . . 72.519999999999996 110.741 -176.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.7 mt -83.48 -174.08 5.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.906 -0.588 . . . . 73.439999999999998 109.853 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -61.76 -78.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.512 0.56 . . . . 74.530000000000001 112.512 -173.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.05 10.04 75.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.593 -0.813 . . . . 43.329999999999998 113.12 -170.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -92.71 -14.23 8.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.934 0.397 . . . . 71.219999999999999 110.78 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.681 ' O ' HG12 ' A' ' 74' ' ' VAL . 2.3 p-80 -99.05 -11.69 21.24 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.432 -0.507 . . . . 74.329999999999998 111.753 -173.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -68.34 -38.88 81.92 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.962 -0.461 . . . . 70.439999999999998 111.615 -171.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -103.66 9.36 37.3 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.839 -0.344 . . . . 75.5 110.941 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 71' ' ' HIS . 8.3 p -74.04 119.44 21.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 119.578 -0.849 . . . . 74.430000000000007 109.444 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.55 118.34 21.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.578 -0.737 . . . . 71.329999999999998 111.014 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.5 mm -85.74 108.07 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.031 -1.1 . . . . 75.129999999999995 108.031 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.79 128.91 45.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.162 -0.472 . . . . 75.030000000000001 110.951 -174.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.5 tp -81.83 110.43 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.622 -0.51 . . . . 61.299999999999997 109.622 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.644 HD11 ' HB ' ' A' ' 60' ' ' THR . 87.6 mt -87.56 -32.24 19.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 63.030000000000001 110.59 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -128.71 132.85 48.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.819 -0.628 . . . . 72.099999999999994 110.064 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -114.86 129.44 56.7 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.661 -0.866 . . . . 74.420000000000002 108.661 171.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 pp -92.0 -36.58 13.32 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.696 -0.402 . . . . 74.010000000000005 109.926 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.12 -47.84 72.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.505 -0.77 . . . . 71.200000000000003 111.105 -173.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.6 m80 65.31 -76.12 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.664 0.602 . . . . 75.420000000000002 110.719 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.1 p80 . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.064 -0.969 . . . . 75.099999999999994 109.15 178.027 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 121.036 0.446 . . . . 65.239999999999995 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 6.1 m-20 -108.26 134.14 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.856 -0.794 . . . . 74.420000000000002 108.856 174.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.9 p -51.91 -36.4 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 123.673 0.608 . . . . 61.200000000000003 112.302 -171.506 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -39.69 91.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.874 0.369 . . . . 64.109999999999999 111.921 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -79.77 -29.34 40.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.845 0.355 . . . . 54.310000000000002 110.907 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 18.6 mm-40 -67.51 -28.95 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 72.510000000000005 110.108 177.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.6 t -57.41 -42.47 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.311 -0.404 . . . . 62.130000000000003 110.297 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 4.9 t30 -61.58 -41.53 97.54 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.663 -0.495 . . . . 65.319999999999993 109.663 176.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.17 -42.62 98.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.644 -0.707 . . . . 55.0 110.234 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.529 HD22 HG22 ' A' ' 49' ' ' THR . 57.0 tp -56.52 -47.02 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 72.400000000000006 110.032 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 7' ' ' VAL . 78.9 t -57.74 -42.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 73.420000000000002 111.223 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 41.1 mt-10 -61.5 -46.5 89.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.327 -0.397 . . . . 63.299999999999997 110.718 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.81 -36.9 85.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 71.329999999999998 111.068 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.1 mt -62.88 -33.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.983 0.42 . . . . 63.450000000000003 110.641 176.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-70 -64.03 -42.78 96.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.422 -0.354 . . . . 71.230000000000004 111.574 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HE ' ' HB3' ' A' ' 16' ' ' ARG . 2.1 ptp180 -86.12 -37.24 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.352 0.501 . . . . 63.409999999999997 112.352 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 16' ' ' ARG . 53.9 mt -94.22 -3.56 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 73.219999999999999 111.259 -175.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.69 174.68 15.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.505 -0.855 . . . . 42.539999999999999 113.188 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -137.61 157.68 45.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.772 0.429 . . . . 62.420000000000002 110.062 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -76.38 135.08 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 53.350000000000001 111.211 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -88.82 -171.27 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 74.129999999999995 110.541 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.17 -16.96 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.4 0.518 . . . . 71.109999999999999 112.4 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 27.4 t70 -90.58 -14.3 32.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.559 0.695 . . . . 43.119999999999997 110.314 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.2 63.46 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.584 -0.734 . . . . 74.409999999999997 112.083 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 54.6 mttp -84.8 158.38 20.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.36 -0.607 . . . . 71.299999999999997 109.36 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 15' ' ' HIS . 98.9 mt -84.75 144.53 28.44 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.853 0.359 . . . . 73.219999999999999 110.362 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 18.0 m -139.39 141.86 37.54 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.226 -0.657 . . . . 72.209999999999994 109.226 173.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.3 138.78 49.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.288 -0.415 . . . . 62.409999999999997 110.241 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.663 ' HB2' HG22 ' A' ' 32' ' ' VAL . 47.1 mmtm -65.82 136.79 56.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.754 -0.462 . . . . 74.340000000000003 109.754 176.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.634 ' CZ ' HD13 ' A' ' 66' ' ' LEU . 80.7 t80 -61.6 -39.13 90.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.649 -0.705 . . . . 72.140000000000001 109.718 177.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -48.54 85.58 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.307 -0.861 . . . . 71.230000000000004 113.93 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 29' ' ' LYS . 33.7 m -68.8 -32.22 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 117.391 0.595 . . . . 75.430000000000007 111.311 -176.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 tt -73.61 -46.42 47.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.738 -0.468 . . . . 72.219999999999999 109.738 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.31 -36.33 83.33 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.151 0.5 . . . . 73.019999999999996 110.057 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -53.16 -51.24 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.739 . . . . 61.420000000000002 111.16 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.87 -38.58 76.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 74.409999999999997 110.288 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.44 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.533 . . . . 71.400000000000006 111.284 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -63.58 -31.99 73.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.954 0.406 . . . . 54.439999999999998 110.648 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.4 t -87.51 -45.5 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.123 -0.489 . . . . 43.219999999999999 111.352 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -27.95 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.329 0.492 . . . . 74.200000000000003 112.329 -174.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 56.59 66.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.205 0.526 . . . . 73.200000000000003 109.87 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.8 mt -80.43 -37.0 32.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.544 -0.753 . . . . 71.439999999999998 109.579 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -115.36 107.6 15.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.11 -0.95 . . . . 72.329999999999998 109.375 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.85 -29.91 65.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.205 0.526 . . . . 61.310000000000002 109.906 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.96 83.99 2.13 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.641 -0.709 . . . . 73.519999999999996 109.366 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.62 -46.79 83.67 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.412 -0.588 . . . . 75.329999999999998 109.412 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.707 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 46.5 t -56.22 -50.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.5 -0.773 . . . . 72.140000000000001 110.383 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.78 -38.07 93.39 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.054 -0.593 . . . . 71.109999999999999 112.511 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.529 HG22 HD22 ' A' ' 10' ' ' LEU . 18.9 m -65.16 -38.7 91.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.09 0.472 . . . . 63.219999999999999 110.461 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.96 -46.31 85.22 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 72.420000000000002 110.544 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 26.4 mmmt -59.78 -43.47 94.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 63.43 110.054 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.94 -53.46 57.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.855 -0.611 . . . . 62.32 111.477 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.756 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.75 -35.48 77.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 72.120000000000005 111.173 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.4 tttt -62.56 -43.25 99.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 70.140000000000001 110.385 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 49.5 mtp180 -73.6 -27.28 61.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 75.420000000000002 111.078 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.65 ' HB3' HG12 ' A' ' 58' ' ' ILE . 35.8 ttt180 -90.6 14.84 12.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 75.420000000000002 110.715 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER 51.89 25.56 3.12 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.983 0.913 . . . . 74.150000000000006 111.966 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.756 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 42.3 mm -76.67 -42.91 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.221 -0.659 . . . . 74.150000000000006 109.221 176.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 78' ' ' LEU . 28.2 m -137.63 170.25 17.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.028 -0.987 . . . . 43.030000000000001 109.745 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.496 ' HB ' HD11 ' A' ' 79' ' ' LEU . 7.3 t -148.89 152.45 36.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 74.030000000000001 109.939 174.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.3 p90 -161.77 135.85 5.02 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.207 -0.664 . . . . 62.43 109.207 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 34.8 Cg_exo -60.1 140.43 92.41 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.751 2.3 . . . . 72.120000000000005 111.799 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 93.83 172.4 39.18 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.891 -0.671 . . . . 73.099999999999994 111.908 -177.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HG3' ' NZ ' ' A' ' 51' ' ' LYS . 4.7 tp10 -132.24 -28.15 1.73 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.037 0.446 . . . . 72.109999999999999 110.266 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.9 tp -121.35 156.0 33.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.829 -0.623 . . . . 43.310000000000002 109.817 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -124.03 -15.61 6.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.286 -0.416 . . . . 53.210000000000001 112.054 -175.431 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.4 mt 62.07 -85.46 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.623 0.577 . . . . 75.430000000000007 110.195 -173.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -128.43 -69.67 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.232 -0.655 . . . . 51.009999999999998 109.232 173.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.68 42.63 0.91 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.582 -0.818 . . . . 75.109999999999999 112.445 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 66' ' ' LEU . 7.6 p -79.43 -11.18 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 64.25 110.054 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -115.82 18.11 15.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.378 -0.828 . . . . 74.140000000000001 109.996 177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.88 -38.48 56.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.092 -0.958 . . . . 72.010000000000005 112.1 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -87.1 5.66 36.57 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.931 0.345 . . . . 72.439999999999998 111.931 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.7 t -84.7 133.05 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 54.109999999999999 110.631 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.6 m-20 -83.9 119.42 24.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.534 -0.757 . . . . 73.120000000000005 109.935 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.2 mm -85.58 113.89 24.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.498 -0.927 . . . . 74.109999999999999 108.498 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -92.55 124.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.139 -0.482 . . . . 71.219999999999999 111.407 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.4 tp -80.2 111.11 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.416 -0.811 . . . . 74.439999999999998 109.423 176.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.576 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 96.7 mt -82.73 -42.34 18.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 71.299999999999997 110.464 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 51.5 mt-30 -112.86 130.79 55.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 64.430000000000007 110.294 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -125.49 122.77 37.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.978 -0.555 . . . . 72.329999999999998 109.962 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.708 HD23 ' H ' ' A' ' 82' ' ' LEU . 2.5 pt? -105.8 -1.31 24.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.056 -0.52 . . . . 54.329999999999998 111.823 -174.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.98 94.62 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.433 -0.58 . . . . 74.239999999999995 109.433 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -93.06 119.79 32.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.108 -0.496 . . . . 71.219999999999999 110.642 -174.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.603 -0.713 . . . . 73.129999999999995 110.395 179.183 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mmt . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 108.744 -0.835 . . . . 70.140000000000001 108.744 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -75.42 114.03 13.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.111 -1.07 . . . . 71.25 108.111 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.7 p -61.25 -36.56 73.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 111.855 0.317 . . . . 74.439999999999998 111.855 -169.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.38 -35.11 78.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.285 0.564 . . . . 73.239999999999995 109.946 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.1 -35.47 56.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.676 -0.693 . . . . 73.540000000000006 110.405 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.33 -30.02 70.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.782 -0.19 . . . . 73.209999999999994 111.041 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 3' ' ' VAL . 92.3 t -61.83 -40.33 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 42.539999999999999 110.32 174.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HA ' HG22 ' A' ' 11' ' ' VAL . 65.6 m-20 -70.78 -29.37 65.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.107 0.48 . . . . 74.420000000000002 110.076 178.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 67.7 tp -71.33 -40.93 70.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.604 -0.517 . . . . 74.310000000000002 109.604 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 14' ' ' ILE . 53.4 tp -57.53 -52.26 66.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.76 -0.655 . . . . 74.420000000000002 110.637 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 8' ' ' ASN . 29.3 m -63.56 -30.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 54.329999999999998 111.219 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -48.03 74.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 74.239999999999995 109.85 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 4.6 mm-40 -65.85 -36.94 84.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.766 -0.652 . . . . 64.230000000000004 110.824 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 10' ' ' LEU . 70.5 mt -66.14 -32.2 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 73.430000000000007 110.422 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.72 -42.49 86.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.125 -0.23 . . . . 74.239999999999995 111.536 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.658 ' HG3' HD12 ' A' ' 17' ' ' LEU . 27.5 ptt85 -86.72 -39.43 16.01 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.442 0.534 . . . . 74.040000000000006 112.442 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' HG3' ' A' ' 16' ' ' ARG . 10.0 mp -86.1 -18.61 31.9 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.859 0.361 . . . . 61.43 111.269 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.03 137.39 31.69 Favored Glycine 0 N--CA 1.44 -1.083 0 CA-C-N 115.838 -0.619 . . . . 44.240000000000002 113.075 -174.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -99.26 155.61 17.41 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.806 -0.813 . . . . 60.229999999999997 108.806 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -76.7 123.39 26.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.477 0.656 . . . . 75.439999999999998 110.827 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -73.67 178.11 4.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.717 -1.129 . . . . 75.219999999999999 109.449 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.25 61.37 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.375 0.607 . . . . 72.049999999999997 110.229 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 21.9 t70 -93.47 -14.9 26.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.397 -0.819 . . . . 64.530000000000001 111.199 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 4.06 60.72 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.195 -1.002 . . . . 60.32 111.689 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 58.5 mttp -83.64 150.36 25.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.978 -0.379 . . . . 74.239999999999995 109.978 175.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.68 131.36 34.59 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.474 -0.565 . . . . 74.109999999999999 109.474 175.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -142.1 142.34 32.78 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 109.933 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.98 136.29 53.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.492 -0.322 . . . . 72.310000000000002 110.362 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 2.0 ttmm -73.24 139.78 46.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.505 -0.316 . . . . 70.150000000000006 110.629 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 72.1 t80 -56.92 -39.83 75.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 75.120000000000005 111.279 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.446 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -63.64 -41.27 99.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.805 -0.712 . . . . 71.040000000000006 112.431 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.87 -43.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.103 0.478 . . . . 64.420000000000002 110.246 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.86 -45.95 73.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 73.109999999999999 109.93 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.83 -42.16 97.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 64.209999999999994 111.433 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -66.45 -39.87 89.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.865 0.364 . . . . 63.009999999999998 110.786 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.95 -43.61 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.542 -0.54 . . . . 72.219999999999999 109.542 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.45 -53.46 47.96 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.894 -0.593 . . . . 61.109999999999999 111.24 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -56.87 -25.96 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.026 0.38 . . . . 75.120000000000005 112.026 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -66.76 -27.77 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 72.019999999999996 111.297 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.91 -22.21 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.106 0.479 . . . . 72.140000000000001 111.53 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.0 t30 52.9 75.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.621 -1.172 . . . . 73.109999999999999 109.92 -167.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -81.26 -42.41 20.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.441 -1.254 . . . . 74.400000000000006 109.435 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -90.12 115.34 27.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.189 -0.914 . . . . 70.409999999999997 109.662 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.4 -31.02 69.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.365 0.602 . . . . 63.420000000000002 109.798 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.93 83.82 2.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.656 -0.702 . . . . 53.530000000000001 109.606 172.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 58.9 tp -53.94 -48.46 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 73.400000000000006 111.678 -174.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 47.1 t -62.81 -39.48 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 62.030000000000001 110.568 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.45 -42.81 95.64 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.008 -0.542 . . . . 50.030000000000001 112.222 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD22 ' A' ' 10' ' ' LEU . 7.1 m -61.42 -41.09 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.428 . . . . 41.439999999999998 110.602 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 95.7 mt -61.97 -45.77 92.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.879 -0.6 . . . . 61.130000000000003 110.636 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 70.4 mmtt -58.19 -46.23 86.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.962 -0.563 . . . . 74.209999999999994 110.893 178.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.65 88.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.120000000000005 111.667 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.51 -27.12 60.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.557 -0.292 . . . . 63.409999999999997 111.423 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.2 tttt -73.53 -34.29 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.591 -0.522 . . . . 75.140000000000001 109.591 176.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -68.43 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 73.099999999999994 110.91 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.18 6.77 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.374 -0.375 . . . . 75.010000000000005 111.325 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 9.8 mptt 59.59 26.29 15.3 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.099 0.56 . . . . 61.310000000000002 111.215 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.832 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.5 mt -80.75 -47.43 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 70.099999999999994 109.888 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG13 HG22 ' A' ' 58' ' ' ILE . 33.3 m -135.59 157.33 39.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.899 -0.591 . . . . 53.409999999999997 110.275 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -138.09 147.93 44.51 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.074 0.464 . . . . 64.019999999999996 109.788 172.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.703 ' HB3' HG13 ' A' ' 76' ' ' ILE . 20.8 p90 -142.6 136.17 14.33 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.643 -0.708 . . . . 75.310000000000002 109.656 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 36.2 Cg_exo -61.96 140.06 82.7 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.63 2.22 . . . . 65.040000000000006 111.502 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.58 131.35 1.88 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.683 -0.77 . . . . 73.25 112.051 -177.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -108.27 -8.35 15.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.937 0.398 . . . . 72.329999999999998 111.111 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.1 tp -142.26 138.33 31.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 62.200000000000003 109.937 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' H ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -140.32 151.15 44.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.349 -0.387 . . . . 74.409999999999997 110.329 179.408 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 67' ' ' LEU . 6.3 mp -102.92 -79.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.065 -0.516 . . . . 64.109999999999999 110.12 178.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -161.14 122.25 2.86 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.58 -0.526 . . . . 72.430000000000007 109.58 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.99 -42.79 3.1 Favored Glycine 0 C--O 1.224 -0.509 0 C-N-CA 121.043 -0.599 . . . . 51.219999999999999 113.609 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.39 -15.91 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 N-CA-C 112.835 0.679 . . . . 64.510000000000005 112.835 -174.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 9.0 t-80 -108.22 11.97 26.96 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.991 -0.443 . . . . 72.099999999999994 110.409 -177.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 4.2 t70 -63.83 -39.3 93.91 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.876 0.695 . . . . 64.540000000000006 112.876 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.564 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 p-10 -93.29 9.24 37.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.726 0.298 . . . . 74.0 111.759 -174.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.64 124.57 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.824 0.345 . . . . 75.409999999999997 110.375 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.8 m-20 -90.83 136.05 33.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 74.219999999999999 111.308 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.703 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mp -96.45 120.37 45.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.691 -0.855 . . . . 55.039999999999999 108.691 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.09 132.34 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 74.439999999999998 111.325 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.43 115.89 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.852 -0.613 . . . . 73.430000000000007 110.159 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.5 -42.53 8.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.495 . . . . 73.439999999999998 110.086 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.832 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 59.0 tt0 -122.07 131.67 54.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.422 -0.808 . . . . 74.349999999999994 109.223 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -99.76 115.89 30.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.129 0.49 . . . . 71.049999999999997 110.307 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.3 tp -100.24 -40.93 7.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.493 -0.776 . . . . 73.549999999999997 111.293 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -71.79 136.31 47.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.967 -0.56 . . . . 74.340000000000003 111.046 -173.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -86.34 81.57 8.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.764 -0.653 . . . . 42.009999999999998 110.098 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--O 1.249 1.048 0 N-CA-C 109.152 -0.685 . . . . 75.510000000000005 109.152 177.134 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.583 0.23 . . . . 74.049999999999997 111.21 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -103.11 109.46 21.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.39 . . . . 63.200000000000003 110.399 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.4 p -72.1 -29.16 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.579 . . . . 72.310000000000002 110.905 -177.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.7 -41.07 94.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.16 0.505 . . . . 73.450000000000003 110.804 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.2 -32.97 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 74.230000000000004 110.187 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.36 -35.69 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 75.109999999999999 110.168 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 53' ' ' ALA . 61.2 t -62.3 -48.71 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.439 177.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' VAL . 75.3 m-20 -67.66 -35.68 79.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.039 -0.528 . . . . 53.310000000000002 110.277 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.4 tp -61.47 -40.78 95.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.871 -0.418 . . . . 64.019999999999996 109.871 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD22 HG22 ' A' ' 49' ' ' THR . 57.2 tp -56.72 -41.34 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.646 -0.706 . . . . 72.129999999999995 110.8 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.56 -33.16 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.98 0.419 . . . . 75.319999999999993 110.25 -179.575 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.746 ' HA ' ' HG3' ' A' ' 83' ' ' GLU . 40.9 mt-10 -72.45 -38.81 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 72.340000000000003 110.131 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.8 mm-40 -61.86 -47.51 84.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 74.109999999999999 110.898 178.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.435 HG22 ' HB3' ' A' ' 26' ' ' LEU . 72.0 mt -62.27 -33.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.037 0.446 . . . . 61.119999999999997 110.6 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.404 -0.362 . . . . 70.519999999999996 111.939 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 31.5 ptt85 -87.31 -41.23 13.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.977 -0.289 . . . . 63.43 111.753 -176.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 4.3 tp -90.88 -25.05 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 74.420000000000002 111.358 -173.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.04 -175.7 43.85 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.765 -0.731 . . . . 74.349999999999994 111.997 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 t -128.92 155.82 44.7 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.019 -0.363 . . . . 43.109999999999999 110.019 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -77.28 137.53 38.85 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.48 0.657 . . . . 71.420000000000002 109.871 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -88.77 165.45 14.69 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.372 -1.285 . . . . 61.140000000000001 109.965 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.42 -14.19 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.849 0.833 . . . . 75.420000000000002 108.936 167.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -17.92 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.117 -1.402 . . . . 65.319999999999993 110.86 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.14 -1.81 65.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.636 -0.792 . . . . 73.540000000000006 113.518 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -112.11 168.02 9.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.459 0.63 . . . . 72.299999999999997 110.555 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.435 ' HB3' HG22 ' A' ' 14' ' ' ILE . 3.6 mm? -85.27 140.99 30.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.439999999999998 111.029 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -144.54 147.08 32.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.96 -0.564 . . . . 41.020000000000003 110.474 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -145.72 145.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.972 -0.558 . . . . 70.400000000000006 109.844 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.62 ' HB2' HG23 ' A' ' 32' ' ' VAL . 72.5 mmtt -71.67 144.29 49.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.482 . . . . 75.239999999999995 110.758 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -41.06 98.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.188 -0.914 . . . . 73.409999999999997 109.964 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -34.16 87.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 54.049999999999997 112.493 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 29' ' ' LYS . 99.6 t -72.37 -49.82 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.313 . . . . 75.239999999999995 110.77 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.75 -45.67 92.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.979 -0.555 . . . . 64.25 109.799 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.77 -32.67 74.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.619 -0.719 . . . . 75.519999999999996 110.861 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -66.25 -45.54 80.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 44.520000000000003 111.484 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -36.89 73.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.769 -0.373 . . . . 74.150000000000006 110.346 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.98 -38.07 89.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.299 -0.409 . . . . 54.219999999999999 110.52 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' A' ' 38' ' ' LYS . 22.6 mmmt -64.89 -16.18 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.845 0.355 . . . . 74.030000000000001 111.395 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -87.65 -47.33 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.286 -0.416 . . . . 44.340000000000003 110.98 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.29 -15.62 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.866 0.691 . . . . 61.439999999999998 112.866 -172.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 57.04 64.47 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.605 0.717 . . . . 61.32 109.847 -173.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD13 ' OE2' ' A' ' 13' ' ' GLU . 31.0 mt -81.47 -48.04 12.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.859 -1.064 . . . . 74.530000000000001 110.759 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HZ ' ' HG3' ' A' ' 13' ' ' GLU . 57.9 m-85 -100.05 134.16 43.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.584 -0.735 . . . . 74.310000000000002 110.095 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.22 -42.79 71.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 65.519999999999996 110.106 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.43 92.97 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.558 -0.746 . . . . 70.209999999999994 109.552 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.24 -41.01 87.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 74.150000000000006 111.728 -173.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.29 -45.37 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.681 0.277 . . . . 54.009999999999998 110.485 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.06 94.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.015 -0.612 . . . . 72.450000000000003 112.295 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.57 HG22 HD22 ' A' ' 10' ' ' LEU . 34.9 m -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.338 . . . . 74.209999999999994 110.588 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.51 -49.38 77.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.521 . . . . 71.530000000000001 110.571 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' NZ ' ' HG3' ' A' ' 64' ' ' GLU . 41.4 tttp -60.71 -40.34 91.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.14 -0.936 . . . . 75.439999999999998 111.473 -178.239 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.29 73.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.194 0.521 . . . . 70.409999999999997 110.703 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.72 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -67.2 -31.43 71.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.574 -0.739 . . . . 54.340000000000003 111.131 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 86.0 tttt -62.97 -46.11 89.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.717 0.294 . . . . 73.400000000000006 110.619 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.86 -24.36 59.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 72.150000000000006 111.444 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.541 ' HB3' HG12 ' A' ' 58' ' ' ILE . 65.9 ttt180 -85.42 4.67 34.41 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.885 0.374 . . . . 65.049999999999997 110.448 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 58.59 30.58 20.03 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.93 -0.577 . . . . 73.329999999999998 111.642 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.72 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 42.4 mm -82.23 -50.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.352 -0.61 . . . . 61.409999999999997 109.352 174.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.1 m -134.5 171.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.334 -0.848 . . . . 70.340000000000003 110.024 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.703 ' HB ' HD11 ' A' ' 79' ' ' LEU . 6.6 t -142.6 147.53 35.98 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.105 0.479 . . . . 75.140000000000001 110.032 174.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -162.0 149.7 11.89 Favored Pre-proline 0 C--N 1.317 -0.807 0 N-CA-C 107.976 -1.12 . . . . 75.120000000000005 107.976 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.26 136.79 66.61 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 121.955 1.77 . . . . 73.319999999999993 111.921 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.1 -159.27 1.99 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.576 -0.738 . . . . 60.420000000000002 113.094 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' HG3' ' NZ ' ' A' ' 51' ' ' LYS . 2.2 pm0 -143.99 16.43 1.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.845 0.831 . . . . 75.140000000000001 109.085 171.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 65' ' ' LEU . 1.7 pt? -144.25 102.47 3.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.564 -1.198 . . . . 73.120000000000005 109.022 177.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.609 ' HB3' ' HB3' ' A' ' 71' ' ' HIS . 3.9 mm? -97.88 149.58 22.23 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.722 -0.672 . . . . 75.450000000000003 111.033 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -96.16 163.88 12.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.79 -0.641 . . . . 63.43 109.594 175.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.21 142.27 57.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.409 -0.359 . . . . 63.240000000000002 110.659 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.4 -52.72 4.75 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.14 -0.552 . . . . 63.43 113.51 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.7 m -69.52 -24.02 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.015 0.436 . . . . 50.100000000000001 111.494 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.609 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 2.5 p-80 -88.15 -9.36 53.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.275 -0.42 . . . . 65.519999999999996 110.967 -173.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -36.16 75.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.004 0.372 . . . . 71.409999999999997 112.004 -170.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -93.61 8.96 38.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 75.099999999999994 110.81 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.518 ' CG2' ' HA ' ' A' ' 71' ' ' HIS . 58.7 t -74.72 123.41 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 74.319999999999993 110.589 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.69 114.87 27.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.868 -0.606 . . . . 64.230000000000004 109.755 175.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.7 mp -85.85 121.86 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.187 -0.672 . . . . 63.310000000000002 109.187 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -103.1 130.01 53.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.062 -0.517 . . . . 63.32 111.52 -172.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.6 tp -80.28 112.61 17.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.819 . . . . 62.329999999999998 109.286 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.703 HD11 ' HB ' ' A' ' 60' ' ' THR . 82.6 mt -85.1 -35.98 21.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 71.409999999999997 110.861 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 45.1 tt0 -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.003 -0.544 . . . . 73.040000000000006 109.723 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -97.79 107.26 19.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.321 0.581 . . . . 74.319999999999993 110.335 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 35.0 tp -108.02 -8.65 15.81 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.268 -0.878 . . . . 71.010000000000005 110.527 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.746 ' HG3' ' HA ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -95.5 150.71 20.02 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.204 -0.453 . . . . 75.109999999999999 110.718 -169.351 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -131.54 -37.45 1.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 74.349999999999994 111.486 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.2 m170 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.994 -1.003 . . . . 71.109999999999999 109.291 -165.411 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.302 -0.259 . . . . 73.549999999999997 110.302 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -109.52 107.25 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.181 -0.674 . . . . 73.329999999999998 109.181 176.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.4 p -66.0 -31.64 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 54.200000000000003 112.029 -169.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.43 -37.29 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.098 0.475 . . . . 71.140000000000001 110.993 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -75.36 -33.94 61.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 74.420000000000002 110.119 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -72.73 -33.47 66.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 73.310000000000002 111.478 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.9 t -66.3 -48.16 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.704 0.287 . . . . 45.329999999999998 110.577 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -59.39 -41.03 88.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.872 0.368 . . . . 63.539999999999999 110.48 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 42' ' ' LEU . 56.7 tp -58.17 -46.85 85.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.77 . . . . 73.129999999999995 110.033 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD21 HD23 ' A' ' 50' ' ' LEU . 56.2 tp -56.51 -47.0 80.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 74.209999999999994 110.607 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 7' ' ' VAL . 74.6 t -56.03 -45.84 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.626 . . . . 64.049999999999997 111.436 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mm-40 -67.77 -38.6 83.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.224 -0.443 . . . . 62.439999999999998 111.505 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 63.8 mm-40 -63.62 -41.11 98.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 73.340000000000003 110.231 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 81.5 mt -63.59 -33.96 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 72.319999999999993 110.284 176.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.653 ' HA ' HD13 ' A' ' 26' ' ' LEU . 44.5 m170 -60.11 -46.49 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 70.25 111.354 178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' NH1' HD13 ' A' ' 17' ' ' LEU . 6.3 ppt_? -87.2 -27.22 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.489 0.551 . . . . 74.519999999999996 112.489 -172.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.516 HD13 ' NH1' ' A' ' 16' ' ' ARG . 6.4 tp -104.49 -2.79 24.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.012 0.375 . . . . 61.039999999999999 112.012 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.88 164.43 14.42 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.347 -0.93 . . . . 73.150000000000006 113.484 -174.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.0 t -121.61 155.85 34.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.79 -0.818 . . . . 61.109999999999999 108.79 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -84.46 136.1 33.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.423 0.63 . . . . 75.349999999999994 112.2 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -75.9 -179.19 4.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.695 -1.139 . . . . 73.099999999999994 110.4 176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.53 -16.85 62.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.22 0.533 . . . . 53.210000000000001 110.11 174.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -78.73 -16.94 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.625 -0.716 . . . . 73.230000000000004 109.803 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 -1.67 70.18 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.733 -0.667 . . . . 74.329999999999998 112.488 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 57.1 mttp -92.1 150.75 20.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.589 0.233 . . . . 63.329999999999998 110.511 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 15' ' ' HIS . 60.0 mt -77.74 142.58 38.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.38 0.61 . . . . 75.409999999999997 111.601 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.525 ' HB2' ' HB3' ' A' ' 75' ' ' ASP . 6.5 p -135.31 143.28 46.1 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 73.420000000000002 110.342 176.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG11 HG12 ' A' ' 14' ' ' ILE . 14.8 p -128.11 144.75 36.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.655 -0.498 . . . . 75.299999999999997 109.655 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 32' ' ' VAL . 27.2 mmmt -77.51 149.59 34.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.254 0.55 . . . . 72.430000000000007 110.803 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -67.13 -40.81 86.87 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.105 -0.952 . . . . 73.439999999999998 110.47 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -46.66 89.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.891 -0.671 . . . . 34.439999999999998 112.91 -176.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 29' ' ' LYS . 13.7 p -66.96 -39.87 84.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 72.230000000000004 110.794 -177.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.36 -46.08 67.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.181 -0.463 . . . . 64.120000000000005 110.17 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.3 -37.5 83.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 72.450000000000003 110.633 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -70.21 -46.06 65.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 74.439999999999998 110.866 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.28 -41.24 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 74.540000000000006 111.721 -172.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.02 -35.79 81.41 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.882 -0.327 . . . . 72.430000000000007 111.232 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.24 -18.75 17.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.581 0.586 . . . . 72.109999999999999 112.581 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -87.61 -21.0 25.6 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.085 0.402 . . . . 72.430000000000007 112.085 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.63 -28.6 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.143 -0.348 . . . . 60.399999999999999 111.804 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 57.71 55.26 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.505 0.669 . . . . 75.540000000000006 110.745 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.678 ' HB3' HD21 ' A' ' 9' ' ' LEU . 86.9 mt -80.57 -39.65 27.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.231 -0.895 . . . . 60.549999999999997 109.016 178.12 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -105.23 97.28 7.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.049 -0.978 . . . . 73.549999999999997 109.624 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.06 -29.83 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.389 0.614 . . . . 75.129999999999995 110.314 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 85.17 2.16 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.453 -0.794 . . . . 62.399999999999999 109.241 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 56.7 tp -55.72 -42.57 75.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.875 -0.602 . . . . 75.219999999999999 111.321 -175.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.61 -37.02 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.46 . . . . 74.200000000000003 110.233 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -47.5 61.68 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.82 -0.627 . . . . 74.219999999999999 112.033 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -61.67 -39.43 91.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.664 0.269 . . . . 75.450000000000003 110.62 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 HD21 ' A' ' 10' ' ' LEU . 85.0 mt -61.42 -48.08 82.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 65.230000000000004 110.579 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -39.16 92.34 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.387 -0.369 . . . . 62.25 111.113 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.05 -52.99 61.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.193 0.52 . . . . 63.530000000000001 110.917 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -72.91 -31.67 64.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.657 -0.701 . . . . 55.210000000000001 111.167 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 82.9 tttt -65.44 -40.7 93.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.017 0.437 . . . . 72.109999999999999 110.129 177.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -73.54 -22.66 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 75.219999999999999 111.455 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -91.01 2.17 56.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.433 -0.349 . . . . 72.439999999999998 110.873 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 62.16 27.54 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.647 -0.706 . . . . 73.349999999999994 110.856 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.6 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.6 mt -86.87 -37.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.197 -0.911 . . . . 71.319999999999993 109.715 178.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 26.3 m -135.09 167.99 24.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.809 -0.632 . . . . 73.140000000000001 109.626 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.474 ' HB ' HD11 ' A' ' 79' ' ' LEU . 1.9 t -156.93 152.85 27.22 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.84 -0.43 . . . . 70.230000000000004 109.84 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 26.0 p90 -158.01 146.06 13.94 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 109.005 -0.739 . . . . 63.140000000000001 109.005 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.894 ' HD2' HG13 ' A' ' 74' ' ' VAL . 26.7 Cg_exo -63.57 139.27 69.2 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.267 1.978 . . . . 71.5 111.792 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.46 148.82 24.08 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.727 -0.749 . . . . 75.420000000000002 112.212 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -123.34 -34.81 3.05 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.684 -0.487 . . . . 73.450000000000003 109.684 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mp -111.94 144.93 40.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.646 -0.706 . . . . 75.510000000000005 110.184 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -165.4 163.63 19.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.887 -0.597 . . . . 50.539999999999999 109.753 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 67' ' ' LEU . 1.9 tm? -148.0 -56.68 0.23 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.961 -0.385 . . . . 70.519999999999996 109.961 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -101.12 167.49 10.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.898 0.38 . . . . 72.530000000000001 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.75 67.18 2.95 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.861 -0.609 . . . . 75.219999999999999 112.63 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -98.44 -13.96 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.902 0.858 . . . . 74.129999999999995 109.697 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -110.05 20.2 18.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 74.519999999999996 111.991 -172.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -32.12 7.4 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.836 0.454 . . . . 72.030000000000001 111.355 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 33.3 t70 -85.54 0.51 52.23 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.036 -0.529 . . . . 73.310000000000002 111.608 -176.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.894 HG13 ' HD2' ' A' ' 62' ' ' PRO . 38.5 t -74.61 121.14 25.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.416 -0.587 . . . . 60.43 109.416 174.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 3.0 m-20 -89.22 120.65 30.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.644 -0.707 . . . . 71.019999999999996 110.461 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.5 mp -86.1 108.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.341 -0.985 . . . . 65.400000000000006 108.341 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' A' ' 27' ' ' SER . 61.5 mt -95.38 127.99 46.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.621 -0.718 . . . . 65.049999999999997 110.826 -172.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.6 tp -80.45 110.54 16.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.507 -0.77 . . . . 64.150000000000006 109.511 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 86.2 mt -87.62 -33.73 18.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.857 -0.61 . . . . 63.310000000000002 110.666 -176.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.6 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 33.4 tt0 -131.23 132.3 44.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.022 -0.536 . . . . 72.530000000000001 110.403 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.464 ' HB2' ' ND1' ' A' ' 84' ' ' HIS . 2.5 m-20 -98.84 97.87 9.02 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.605 -0.517 . . . . 74.230000000000004 109.605 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.47 -57.52 12.39 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.747 -0.835 . . . . 71.420000000000002 108.747 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -85.08 88.29 7.45 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.878 -1.156 . . . . 74.019999999999996 107.878 168.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.464 ' ND1' ' HB2' ' A' ' 81' ' ' ASP . 9.3 t60 -83.37 78.13 9.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.565 -0.743 . . . . 64.319999999999993 111.457 -168.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 m80 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.665 -0.698 . . . . 72.439999999999998 109.577 174.55 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.292 0.091 . . . . 71.010000000000005 110.835 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.693 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 30.8 t30 -98.01 105.77 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.46 -0.57 . . . . 72.150000000000006 109.46 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.2 p -67.04 -34.29 68.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 61.329999999999998 112.745 -166.086 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.56 -42.28 82.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 73.129999999999995 111.194 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -79.84 -29.63 40.16 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.765 -0.374 . . . . 74.219999999999999 110.606 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.693 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 51.9 mt-10 -71.19 -29.02 64.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 75.430000000000007 110.585 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 3' ' ' VAL . 81.5 t -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.763 -0.458 . . . . 54.210000000000001 109.763 172.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.0 m-20 -61.92 -36.56 81.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.948 0.404 . . . . 52.219999999999999 110.234 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 63.0 tp -64.6 -42.3 95.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 73.209999999999994 109.536 175.584 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.579 HD21 HD23 ' A' ' 50' ' ' LEU . 56.9 tp -56.73 -49.7 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.433 -0.803 . . . . 75.349999999999994 110.681 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 7' ' ' VAL . 2.9 m -67.43 -30.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.552 -0.295 . . . . 65.409999999999997 110.537 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -66.3 -45.13 81.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.875 0.369 . . . . 74.140000000000001 110.017 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 19.9 mm-40 -60.98 -39.61 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 54.530000000000001 109.887 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 68.3 mt -66.19 -33.87 66.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.239 -0.437 . . . . 64.439999999999998 110.742 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.571 ' HA ' HD13 ' A' ' 26' ' ' LEU . 64.9 m170 -55.03 -48.5 73.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.927 0.394 . . . . 74.349999999999994 110.632 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -87.38 -45.41 10.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 74.439999999999998 112.129 -174.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.0 mt -79.86 -29.74 40.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.629 0.252 . . . . 73.219999999999999 111.43 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.76 162.07 31.24 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.572 -0.823 . . . . 63.409999999999997 112.425 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -118.37 155.72 30.2 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.932 -0.395 . . . . 63.439999999999998 109.932 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.51 124.75 29.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 62.439999999999998 110.257 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -78.53 175.02 10.73 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.109 -0.95 . . . . 73.319999999999993 109.441 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -9.28 39.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.534 0.683 . . . . 73.409999999999997 110.015 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.22 -0.02 50.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.925 -1.034 . . . . 75.239999999999995 109.817 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.95 24.93 75.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.647 -0.706 . . . . 71.439999999999998 112.849 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -135.25 151.16 50.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.735 -0.273 . . . . 73.310000000000002 111.013 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 15' ' ' HIS . 82.7 mt -76.57 136.5 39.26 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.755 -0.657 . . . . 74.239999999999995 110.913 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -143.86 147.35 33.93 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.315 -0.402 . . . . 71.400000000000006 110.473 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.41 136.79 14.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 62.299999999999997 109.078 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 39.9 mtmt -70.69 143.32 51.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.129 0.49 . . . . 73.109999999999999 111.22 -177.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 7.9 t80 -56.16 -41.6 75.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 71.209999999999994 110.286 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.86 -31.44 72.01 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.15 -0.548 . . . . 61.020000000000003 113.304 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.56 -51.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 64.420000000000002 110.609 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.64 -41.78 92.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.903 -0.59 . . . . 73.5 110.225 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.13 -38.12 73.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 75.109999999999999 111.025 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -61.28 -50.36 73.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.749 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.58 -41.86 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.402 . . . . 65.340000000000003 110.369 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.849 -0.614 . . . . 62.32 111.628 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HA ' ' HE3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.9 -19.78 63.4 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.845 -0.342 . . . . 74.120000000000005 111.643 -178.31 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -88.06 -47.22 8.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.495 -0.321 . . . . 73.25 110.672 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -22.52 23.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 63.310000000000002 112.322 -173.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 60.0 62.33 1.67 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.642 0.734 . . . . 54.119999999999997 110.34 -172.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.28 -48.05 13.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.003 . . . . 75.540000000000006 109.759 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 10' ' ' LEU . 34.6 m-85 -114.55 103.52 11.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 55.420000000000002 109.271 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -52.74 -44.31 66.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.968 -0.56 . . . . 75.099999999999994 110.53 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.31 84.52 2.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 45.149999999999999 109.584 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.49 -42.0 77.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.759 -0.655 . . . . 74.209999999999994 111.227 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.4 p -61.35 -40.5 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 72.420000000000002 110.721 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.03 -42.98 94.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.919 -0.657 . . . . 72.219999999999999 112.279 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.49 HG22 HD22 ' A' ' 10' ' ' LEU . 8.8 m -61.3 -39.62 91.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.034 0.445 . . . . 72.549999999999997 110.499 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 10' ' ' LEU . 95.0 mt -67.78 -43.03 80.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.002 -0.545 . . . . 70.329999999999998 110.822 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 13.9 mmmm -58.06 -45.67 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 73.430000000000007 110.778 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -52.2 66.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.718 -0.674 . . . . 74.430000000000007 110.834 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -68.35 -36.44 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.065 -0.516 . . . . 31.149999999999999 111.54 -176.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 83.8 tttt -63.71 -46.46 85.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 75.510000000000005 110.525 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -78.27 -19.23 54.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.299999999999997 111.789 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HD3' HD11 ' A' ' 58' ' ' ILE . 27.1 ttt180 -85.07 -0.09 53.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.322 -0.622 . . . . 72.409999999999997 109.322 172.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.52 28.05 15.2 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.727 -1.124 . . . . 72.510000000000005 111.843 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.719 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 87.1 mt -86.27 -41.12 14.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.247 -0.888 . . . . 74.420000000000002 109.902 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.0 m -131.57 167.37 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.14 -0.482 . . . . 63.299999999999997 110.141 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.404 ' HB ' HD11 ' A' ' 79' ' ' LEU . 12.1 t -150.02 152.64 35.19 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.308 -0.627 . . . . 70.349999999999994 109.308 174.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -157.75 150.54 18.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.02 -0.536 . . . . 64.120000000000005 109.691 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HG2' HG13 ' A' ' 74' ' ' VAL . 19.3 Cg_endo -62.42 139.54 77.31 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.378 2.052 . . . . 63.310000000000002 111.923 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.14 -153.71 52.89 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.697 -0.683 . . . . 72.420000000000002 112.272 -175.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -164.53 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.312 0.577 . . . . 65.129999999999995 109.966 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.73 96.02 9.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.713 -0.676 . . . . 65.230000000000004 109.421 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.561 ' HB3' ' HB3' ' A' ' 71' ' ' HIS . 83.6 mt -106.29 126.82 52.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.013 -0.539 . . . . 73.319999999999993 111.285 -174.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.766 ' HG ' ' H ' ' A' ' 68' ' ' GLN . 15.3 tp -81.8 -171.93 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.907 -0.588 . . . . 74.340000000000003 109.689 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.766 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 17.0 tm0? -68.97 -68.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.751 0.31 . . . . 73.019999999999996 111.535 -172.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.03 -8.9 85.98 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 74.129999999999995 113.972 -170.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.37 -19.1 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 117.271 0.536 . . . . 61.450000000000003 111.619 -175.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.561 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 1.4 p-80 -82.42 3.66 27.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.533 0.568 . . . . 73.239999999999995 112.533 -170.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 19.8 t70 -71.94 -31.06 65.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.715 -0.394 . . . . 70.219999999999999 111.174 -176.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.2 9.09 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.835 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.45 HG21 HD13 ' A' ' 66' ' ' LEU . 20.9 t -90.45 115.34 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 75.519999999999996 110.032 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -96.65 118.35 32.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.072 -0.714 . . . . 70.409999999999997 109.072 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.12 108.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.839 -0.8 . . . . 73.400000000000006 108.839 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.5 mt -100.01 124.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.554 -0.748 . . . . 63.340000000000003 111.191 -171.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.02 116.97 20.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 74.310000000000002 110.131 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.404 HD11 ' HB ' ' A' ' 60' ' ' THR . 94.3 mt -93.71 -40.06 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.199 0.523 . . . . 74.25 110.431 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.719 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -123.35 131.47 53.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.634 -0.712 . . . . 75.349999999999994 109.498 -178.411 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' A' ' 84' ' ' HIS . 39.7 t0 -117.44 95.28 4.89 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.439 -0.578 . . . . 73.140000000000001 109.439 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.91 -66.74 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.555 -0.748 . . . . 74.010000000000005 111.319 -176.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -88.29 83.33 6.92 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.835 -0.802 . . . . 71.349999999999994 108.835 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.451 ' HA ' ' OD2' ' A' ' 81' ' ' ASP . 84.0 t60 -85.31 107.8 17.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.032 -0.986 . . . . 75.140000000000001 111.495 -168.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.385 -0.816 . . . . 71.030000000000001 109.285 176.212 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.387 0.137 . . . . 75.329999999999998 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.526 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 9.6 t30 -109.23 134.43 51.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.877 -0.416 . . . . 64.409999999999997 109.877 -178.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 7' ' ' VAL . 13.5 p -54.28 -35.44 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 113.13 0.789 . . . . 73.209999999999994 113.13 -168.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.04 -37.07 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 74.439999999999998 110.982 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -79.79 -32.88 40.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.397 -0.365 . . . . 74.310000000000002 110.759 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 8.6 mm-40 -58.22 -45.19 88.1 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.679 -0.489 . . . . 75.439999999999998 109.679 178.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.8 t -62.97 -43.82 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 115.671 -0.695 . . . . 73.129999999999995 111.557 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' O ' HG22 ' A' ' 11' ' ' VAL . 87.2 m-20 -67.82 -32.71 73.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 72.109999999999999 110.353 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.11 -36.82 85.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.662 -0.496 . . . . 74.439999999999998 109.662 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.692 HD22 HG22 ' A' ' 49' ' ' THR . 57.7 tp -58.42 -45.84 87.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 71.129999999999995 110.57 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.57 -33.82 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.034 -0.358 . . . . 70.120000000000005 110.034 -179.187 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 1.9 mm-40 -65.33 -38.98 91.78 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.348 -0.387 . . . . 65.030000000000001 110.961 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -66.02 -43.62 87.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.514 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 78' ' ' LEU . 64.9 mt -62.67 -34.05 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 72.420000000000002 110.395 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.42 ' HE1' ' O ' ' A' ' 83' ' ' GLU . 63.8 m170 -57.39 -52.23 66.19 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.439 -0.346 . . . . 44.030000000000001 111.138 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -86.96 -44.15 11.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 74.25 112.618 -171.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -87.71 -12.51 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.662 0.245 . . . . 74.120000000000005 111.662 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.46 167.5 32.61 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.593 -0.813 . . . . 74.409999999999997 112.965 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -125.12 159.1 32.26 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.377 -0.601 . . . . 64.140000000000001 109.377 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.25 127.9 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.784 0.802 . . . . 51.539999999999999 111.207 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.07 169.75 12.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.243 -1.344 . . . . 72.310000000000002 108.938 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.57 64.96 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.605 0.594 . . . . 72.200000000000003 112.605 -172.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.82 5.73 38.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.953 0.353 . . . . 72.120000000000005 111.953 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.97 61.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.323 -0.941 . . . . 61.039999999999999 111.222 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -94.15 164.56 13.01 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.335 -0.617 . . . . 74.239999999999995 109.335 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.13 120.8 41.36 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.652 -0.499 . . . . 73.239999999999995 109.652 176.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.514 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 29.0 t -124.97 143.49 50.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.797 0.332 . . . . 75.120000000000005 111.066 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -147.08 140.37 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.849 -0.614 . . . . 42.329999999999998 110.195 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 37.4 mtmt -70.52 148.27 48.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.194 0.521 . . . . 73.420000000000002 111.407 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.97 -40.41 89.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.354 -0.839 . . . . 73.230000000000004 111.2 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.412 ' H ' ' HA ' ' A' ' 72' ' ' ASP . . . -62.72 -44.5 97.41 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.076 -0.583 . . . . 54.310000000000002 112.754 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.29 -43.75 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 71.129999999999995 110.434 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.486 HD21 ' HE2' ' A' ' 43' ' ' PHE . 4.7 tt -64.49 -45.8 85.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.714 -0.675 . . . . 73.349999999999994 109.845 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.64 -42.53 88.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 70.450000000000003 110.363 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -48.38 75.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.702 . . . . 55.049999999999997 111.696 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.92 -44.81 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.84 -0.344 . . . . 71.319999999999993 110.85 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.36 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 74.420000000000002 111.422 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmpm? -75.21 -19.12 59.96 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.746 -0.596 . . . . 74.219999999999999 110.921 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -88.5 -46.75 8.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.178 -0.465 . . . . 74.409999999999997 111.17 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.34 -21.74 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.128 0.418 . . . . 73.040000000000006 112.128 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.2 t30 56.7 68.51 0.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.558 0.694 . . . . 71.530000000000001 109.515 -170.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.5 -48.09 12.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.1 -0.955 . . . . 74.540000000000006 110.507 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.486 ' HE2' HD21 ' A' ' 33' ' ' LEU . 66.8 m-85 -98.11 122.0 40.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.602 -0.726 . . . . 72.310000000000002 110.444 -176.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.87 -33.57 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.094 -0.706 . . . . 74.319999999999993 109.094 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.63 84.27 2.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.38 -0.827 . . . . 64.230000000000004 109.683 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.26 -56.97 15.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.986 -0.552 . . . . 64.299999999999997 111.57 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.19 -33.58 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.835 -0.346 . . . . 75.420000000000002 110.591 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.94 99.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.619 -0.801 . . . . 74.439999999999998 111.728 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.692 HG22 HD22 ' A' ' 10' ' ' LEU . 62.8 m -59.66 -43.19 94.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 74.219999999999999 110.546 176.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.15 -50.1 67.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 60.030000000000001 110.757 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -61.0 -36.76 80.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 74.430000000000007 110.745 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.53 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 52.32 111.099 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.0 -35.26 78.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.728 -0.669 . . . . 75.439999999999998 111.861 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.6 tttt -64.77 -44.87 88.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.833 0.349 . . . . 60.219999999999999 110.417 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -71.58 -24.23 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.027 0.441 . . . . 63.240000000000002 110.846 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HB2' HG12 ' A' ' 58' ' ' ILE . 69.5 mtt180 -84.44 -1.54 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 64.420000000000002 110.934 176.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 57.92 28.89 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.359 0.599 . . . . 74.209999999999994 111.169 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.635 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 36.0 mm -74.85 -43.74 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 108.014 -1.106 . . . . 41.310000000000002 108.014 172.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.8 m -137.21 166.32 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.323 -1.308 . . . . 74.349999999999994 109.018 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.502 ' HB ' HD11 ' A' ' 79' ' ' LEU . 10.3 t -144.64 149.19 35.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.887 0.375 . . . . 64.299999999999997 110.232 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.513 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -157.98 144.09 12.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 74.340000000000003 109.116 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 32.5 Cg_exo -62.08 139.66 79.85 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.422 2.081 . . . . 64.439999999999998 111.457 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.4 -174.58 49.99 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.651 -0.785 . . . . 75.230000000000004 111.58 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.476 ' H ' HD23 ' A' ' 65' ' ' LEU . 15.7 tt0 -158.44 21.28 0.23 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.724 0.773 . . . . 74.310000000000002 109.616 177.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 64' ' ' GLU . 2.5 pt? -150.18 148.58 29.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.701 -1.136 . . . . 61.420000000000002 108.886 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.513 ' N ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.24 152.86 39.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.847 0.356 . . . . 64.140000000000001 110.717 178.783 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.44 -54.7 4.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.81 -0.632 . . . . 74.530000000000001 109.797 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.43 ' HB3' ' H ' ' A' ' 69' ' ' GLY . 26.6 mt-30 -156.54 -153.88 0.44 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.325 -0.852 . . . . 73.450000000000003 110.131 -178.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' H ' ' HB3' ' A' ' 68' ' ' GLN . . . -67.17 1.05 6.87 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.674 -0.298 . . . . 43.310000000000002 113.217 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -66.88 -11.26 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.512 0.672 . . . . 74.129999999999995 110.74 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -89.83 14.02 13.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 74.409999999999997 109.886 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.471 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 8.6 t70 -65.14 -21.44 66.79 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.878 -0.601 . . . . 63.549999999999997 111.386 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.89 4.6 28.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.825 0.821 . . . . 73.519999999999996 110.292 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 62' ' ' PRO . 88.9 t -112.39 125.6 69.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 73.099999999999994 110.665 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 5.3 m-20 -91.48 136.41 33.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.849 -0.614 . . . . 42.229999999999997 110.782 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.513 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.2 mp -97.17 121.31 47.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.679 -0.859 . . . . 71.540000000000006 108.679 175.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.48 130.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.962 0.411 . . . . 72.25 111.411 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.502 ' HB2' HG21 ' A' ' 14' ' ' ILE . 38.2 tp -80.3 128.1 33.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 74.310000000000002 109.946 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.502 HD11 ' HB ' ' A' ' 60' ' ' THR . 71.1 mt -106.79 -41.33 5.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.983 -0.553 . . . . 64.409999999999997 110.779 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.462 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 50.4 mt-30 -111.44 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.964 -0.562 . . . . 74.140000000000001 110.557 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -103.54 90.39 3.66 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.454 -0.572 . . . . 73.120000000000005 109.454 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.29 -46.29 90.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.392 -0.822 . . . . 72.109999999999999 111.079 -174.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' HE1' ' A' ' 15' ' ' HIS . 31.5 tt0 -143.32 109.73 5.41 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 110.05 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -70.87 139.67 50.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.725 . . . . 72.099999999999994 110.811 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.63 -0.7 . . . . 74.349999999999994 109.259 177.176 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 108.431 -0.951 . . . . 73.310000000000002 108.431 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -70.34 136.89 50.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.117 -1.068 . . . . 73.329999999999998 108.117 168.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.614 ' HA ' ' OE1' ' A' ' 6' ' ' GLU . 8.6 p -51.29 -28.28 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 113.031 0.752 . . . . 75.420000000000002 113.031 -167.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.49 -26.93 65.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.526 -0.306 . . . . 71.319999999999993 111.324 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -79.39 -35.82 40.12 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.592 -0.521 . . . . 64.510000000000005 109.592 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.614 ' OE1' ' HA ' ' A' ' 3' ' ' VAL . 3.9 mp0 -72.47 -38.17 68.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.364 -0.834 . . . . 73.310000000000002 110.317 178.163 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 3' ' ' VAL . 88.5 t -62.38 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 73.519999999999996 110.119 174.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.12 -33.73 76.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.874 -0.603 . . . . 73.230000000000004 110.141 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.5 tp -68.81 -43.11 76.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.218 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD22 HG22 ' A' ' 49' ' ' THR . 59.7 tp -56.26 -44.14 79.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.979 -0.555 . . . . 74.209999999999994 109.997 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.87 -36.94 75.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.282 -0.872 . . . . 75.409999999999997 110.915 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.8 tp10 -64.21 -45.87 86.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.078 0.466 . . . . 54.310000000000002 110.725 177.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 3.2 mm-40 -61.91 -35.65 78.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.807 -0.633 . . . . 73.209999999999994 110.393 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.531 HG21 ' HB2' ' A' ' 78' ' ' LEU . 63.2 mt -67.3 -32.35 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.832 -0.622 . . . . 71.120000000000005 110.309 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -66.93 -37.41 84.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.993 0.425 . . . . 72.019999999999996 110.243 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.485 HH21 ' CD ' ' A' ' 13' ' ' GLU . 42.3 mtm105 -81.01 -49.24 11.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 63.310000000000002 112.016 -174.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.14 -2.75 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 72.340000000000003 111.198 -173.285 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . -89.13 132.6 11.34 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.647 -0.787 . . . . 52.340000000000003 113.069 -175.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -99.17 157.09 16.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.809 -0.811 . . . . 71.120000000000005 108.809 175.27 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -77.03 133.22 39.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.238 1.018 . . . . 62.350000000000001 112.421 -174.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -88.72 176.0 7.27 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.51 -1.677 . . . . 64.319999999999993 109.785 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.23 74.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.652 0.612 . . . . 53.140000000000001 112.652 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.71 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 7.1 m-20 -79.45 -7.98 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.234 . . . . 52.310000000000002 111.223 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.49 12.34 56.03 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.74 -0.944 . . . . 72.140000000000001 110.74 -171.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.71 ' HG3' ' HB2' ' A' ' 23' ' ' ASP . 16.6 mttp -84.53 168.23 15.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 64.310000000000002 109.582 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.18 136.21 41.4 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.657 -0.497 . . . . 74.439999999999998 109.657 172.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -138.77 142.02 38.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.88 0.371 . . . . 72.329999999999998 110.199 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.53 137.93 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.287 -0.415 . . . . 71.120000000000005 110.142 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 75' ' ' ASP . 63.6 mttm -79.14 146.23 33.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.702 -0.226 . . . . 73.430000000000007 110.767 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -53.51 -41.92 66.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 43.25 111.442 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -38.1 79.6 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 121.173 -0.537 . . . . 72.510000000000005 112.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.17 -43.27 37.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.058 0.456 . . . . 74.409999999999997 110.569 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.48 -45.22 80.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.903 -0.589 . . . . 71.219999999999999 110.068 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 49.3 t80 -58.35 -39.76 80.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.769 -0.651 . . . . 74.140000000000001 110.322 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -53.29 -47.36 69.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.822 -0.626 . . . . 50.420000000000002 111.11 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' A' ' 16' ' ' ARG . 0.9 OUTLIER -70.16 -40.25 74.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 73.299999999999997 110.353 -174.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.04 -43.41 95.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 73.209999999999994 111.098 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 31.0 mmmt -60.95 -14.5 23.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.045 0.387 . . . . 74.439999999999998 112.045 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -80.74 -42.07 22.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 72.219999999999999 111.163 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.75 -11.33 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.732 0.641 . . . . 74.150000000000006 112.732 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 64.5 t30 54.01 71.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.849 0.833 . . . . 73.140000000000001 109.035 -167.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.38 -41.69 21.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.576 -1.193 . . . . 74.430000000000007 110.265 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -108.47 106.44 16.54 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.634 -0.712 . . . . 75.549999999999997 110.244 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.36 -40.7 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.163 0.506 . . . . 72.540000000000006 109.841 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.89 86.92 2.53 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.086 -0.709 . . . . 74.329999999999998 109.086 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 49.5 tp -56.96 -45.72 82.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.877 -0.601 . . . . 74.109999999999999 110.766 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.26 -37.25 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 71.420000000000002 110.732 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.14 85.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.939 -0.648 . . . . 53.420000000000002 112.327 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.482 HG22 HD22 ' A' ' 10' ' ' LEU . 32.4 m -59.39 -41.44 89.37 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.725 0.298 . . . . 72.230000000000004 110.674 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD23 HD21 ' A' ' 10' ' ' LEU . 96.3 mt -61.3 -48.31 81.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.303 -0.408 . . . . 72.439999999999998 110.497 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 27.4 mmmt -58.73 -41.79 87.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.952 -0.567 . . . . 65.219999999999999 111.208 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.22 70.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 74.450000000000003 111.18 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.6 -26.99 60.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.889 -0.596 . . . . 74.239999999999995 111.119 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 81.5 tttt -67.41 -39.04 85.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.787 -0.449 . . . . 64.030000000000001 109.787 177.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.75 -38.35 90.7 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.255 -0.43 . . . . 70.319999999999993 110.682 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.54 8.76 18.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.802 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 10.8 mptt 60.85 23.14 13.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.97 0.508 . . . . 74.150000000000006 111.487 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.726 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 88.3 mt -79.9 -47.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.976 -0.556 . . . . 75.540000000000006 109.813 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 53' ' ' ALA . 30.9 m -129.94 161.44 39.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.96 -0.564 . . . . 72.340000000000003 110.066 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.6 t -142.75 148.06 36.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 45.109999999999999 110.098 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.637 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -155.03 136.86 9.58 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 108.775 -0.824 . . . . 75.430000000000007 108.775 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 37.3 Cg_exo -60.56 139.77 87.76 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.191 1.928 . . . . 73.0 111.651 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.83 174.74 49.79 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.035 -0.602 . . . . 65.019999999999996 112.693 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -119.73 -62.62 1.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.379 -0.6 . . . . 65.129999999999995 109.379 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.46 172.99 8.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.149 -0.932 . . . . 74.129999999999995 109.867 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 71' ' ' HIS . 6.4 mp -121.94 133.91 54.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.024 0.44 . . . . 64.439999999999998 111.846 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' HB2' ' CG2' ' A' ' 70' ' ' VAL . 7.0 mp -99.61 147.83 24.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.324 -0.991 . . . . 73.319999999999993 108.324 168.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -68.22 115.0 7.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.888 0.375 . . . . 74.140000000000001 110.843 -173.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.41 -20.11 48.15 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.698 -0.763 . . . . 64.129999999999995 113.7 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.525 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 9.7 m -97.43 -23.11 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 117.216 0.508 . . . . 70.329999999999998 111.562 -173.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.481 ' HB3' HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -106.38 -1.64 23.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.43 -0.35 . . . . 64.019999999999996 110.859 -171.521 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.07 -37.98 84.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 72.510000000000005 111.199 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.13 8.07 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.968 -0.56 . . . . 54.140000000000001 111.278 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 71' ' ' HIS . 76.2 t -79.39 127.9 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 55.549999999999997 110.617 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 5.1 m-20 -86.74 130.22 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.48 -0.782 . . . . 72.439999999999998 111.036 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mp -94.45 119.36 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.766 -0.827 . . . . 42.43 108.766 172.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -100.64 128.28 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.084 -0.507 . . . . 74.209999999999994 111.059 -174.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' ' 14' ' ' ILE . 41.7 tp -81.96 110.95 17.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 74.209999999999994 109.835 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.46 -42.19 11.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.278 0.561 . . . . 74.129999999999995 110.419 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.726 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 29.3 tt0 -125.83 133.63 51.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.599 -0.728 . . . . 72.299999999999997 109.991 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -109.57 115.01 29.11 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.46 -0.571 . . . . 61.409999999999997 109.46 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.3 -6.04 53.76 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.274 0.472 . . . . 73.310000000000002 112.274 -176.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -98.02 -51.34 4.07 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.274 -0.57 . . . . 74.200000000000003 111.389 -170.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -139.34 -34.24 0.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.634 0.605 . . . . 71.329999999999998 112.634 -171.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.253 -0.88 . . . . 74.409999999999997 110.982 -173.015 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.001 0.429 . . . . 71.420000000000002 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 38.0 t30 -108.57 130.6 55.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.739 -0.837 . . . . 53.0 108.739 175.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p -51.41 -41.54 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 112.522 0.564 . . . . 71.120000000000005 112.522 -170.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -61.41 -41.35 97.02 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.836 0.35 . . . . 62.43 110.743 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -64.66 -42.82 95.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 73.25 110.141 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 8.5 mm-40 -64.22 -34.43 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 74.329999999999998 110.22 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 3' ' ' VAL . 61.6 t -68.28 -39.15 80.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 74.129999999999995 110.32 175.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -31.49 72.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.038 0.447 . . . . 65.120000000000005 110.149 174.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.9 tp -69.69 -44.51 70.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.881 -0.599 . . . . 73.450000000000003 109.536 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.55 HD22 HG22 ' A' ' 49' ' ' THR . 55.3 tp -56.57 -52.47 64.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.527 -0.761 . . . . 64.209999999999994 110.81 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.3 -30.57 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 75.430000000000007 111.271 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 31.8 tt0 -70.92 -45.35 64.4 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.667 0.27 . . . . 63.399999999999999 110.457 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' A' ' 13' ' ' GLU . 30.7 mm-40 -63.51 -34.51 77.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.667 0.27 . . . . 74.340000000000003 110.753 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 10' ' ' LEU . 92.4 mt -63.92 -33.56 62.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 74.140000000000001 110.418 175.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 2.4 m-70 -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.38 . . . . 73.209999999999994 111.272 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -84.39 -48.35 9.75 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.188 0.44 . . . . 71.540000000000006 112.188 -176.234 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.33 -18.6 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.741 0.305 . . . . 74.239999999999995 111.402 -174.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.81 162.01 33.86 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.576 -0.821 . . . . 53.310000000000002 113.016 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -126.36 159.17 33.95 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.576 -0.898 . . . . 75.209999999999994 108.576 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -75.33 127.09 32.37 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 122.135 0.969 . . . . 73.430000000000007 111.253 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -86.12 172.48 10.54 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.614 -1.63 . . . . 71.349999999999994 109.565 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.4 -25.61 68.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.178 -0.464 . . . . 75.310000000000002 111.494 -175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.6 -11.42 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.179 -0.464 . . . . 64.310000000000002 111.358 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.96 2.53 71.5 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 110.474 -1.05 . . . . 73.25 110.474 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -84.88 145.83 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.645 -0.777 . . . . 64.540000000000006 110.068 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.78 128.89 33.98 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.451 -0.574 . . . . 74.219999999999999 109.451 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -136.97 143.03 42.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.855 0.359 . . . . 54.520000000000003 110.74 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.86 138.27 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.859 -0.609 . . . . 74.519999999999996 110.177 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.68 142.14 38.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 74.209999999999994 111.296 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -69.59 -26.7 64.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 72.540000000000006 110.78 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.41 -48.09 81.68 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.704 -0.76 . . . . 62.409999999999997 112.102 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.11 -41.21 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.724 0.297 . . . . 64.140000000000001 110.911 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 75.530000000000001 110.159 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -66.87 -35.21 79.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.72 0.295 . . . . 61.32 110.291 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -61.0 -47.89 84.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 75.530000000000001 110.467 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.61 -48.75 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 64.129999999999995 110.993 178.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -31.26 71.44 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 116.534 -0.303 . . . . 73.540000000000006 111.074 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 44.5 tptt -58.83 -28.65 66.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.967 0.413 . . . . 74.209999999999994 111.116 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 m -87.44 -16.9 33.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.125 -0.489 . . . . 74.140000000000001 111.906 -177.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.23 -33.64 3.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.645 0.609 . . . . 52.409999999999997 112.645 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 55.73 63.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.359 0.664 . . . . 74.329999999999998 110.464 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -80.53 -45.35 17.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.532 -0.758 . . . . 75.430000000000007 109.815 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 46' ' ' LEU . 64.0 m-85 -88.03 109.16 19.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.427 -0.806 . . . . 73.219999999999999 110.31 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.75 -53.3 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.356 -0.609 . . . . 71.329999999999998 109.356 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.34 84.81 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.693 -0.685 . . . . 52.130000000000003 109.822 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 43' ' ' PHE . 39.1 tp -58.2 -42.52 86.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 64.409999999999997 110.891 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.25 -32.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.159 -0.473 . . . . 71.129999999999995 110.299 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.73 -44.61 62.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.119 -0.562 . . . . 51.229999999999997 112.106 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.55 HG22 HD22 ' A' ' 10' ' ' LEU . 10.2 m -59.5 -43.71 93.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 74.409999999999997 110.722 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.38 -44.3 97.4 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.235 -0.438 . . . . 74.340000000000003 110.465 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 4.7 tptp -59.29 -45.89 90.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.02 -0.536 . . . . 52.119999999999997 110.737 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.819 -0.628 . . . . 74.230000000000004 111.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.839 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -75.24 -27.08 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.587 -0.733 . . . . 74.430000000000007 111.698 -176.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.33 -35.84 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.7 -0.4 . . . . 62.329999999999998 110.042 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 30.1 mmt180 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.061 0.458 . . . . 74.310000000000002 110.388 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.64 ' HB2' HG12 ' A' ' 58' ' ' ILE . 65.3 mtt180 -88.11 -1.19 57.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 73.239999999999995 111.586 -178.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 57' ' ' LYS . 33.0 mmtp 56.04 33.97 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.398 0.618 . . . . 71.25 111.041 -175.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.839 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 24.8 mm -72.18 -42.42 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 108.041 -1.096 . . . . 65.310000000000002 108.041 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' A' ' 53' ' ' ALA . 28.8 m -135.63 171.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.494 -1.23 . . . . 74.450000000000003 109.156 177.102 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.9 t -152.09 150.89 30.42 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.72 -0.474 . . . . 40.399999999999999 109.72 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 27.5 p90 -157.55 148.16 16.11 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.097 -0.705 . . . . 64.329999999999998 109.097 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HD2' HG13 ' A' ' 74' ' ' VAL . 52.9 Cg_exo -55.2 137.67 77.41 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.245 1.963 . . . . 74.099999999999994 111.878 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.59 -154.47 9.13 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.668 -0.697 . . . . 62.409999999999997 112.754 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' A' ' 61' ' ' TYR . 5.4 pt-20 -160.14 -7.77 0.06 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.909 0.385 . . . . 75.219999999999999 110.636 172.445 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 tt -108.03 94.38 5.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.627 -0.879 . . . . 74.209999999999994 108.627 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.67 ' HB3' ' HB3' ' A' ' 71' ' ' HIS . 93.9 mt -121.12 100.0 6.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 74.319999999999993 111.515 -173.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -82.41 174.74 10.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.838 0.352 . . . . 71.0 110.885 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -64.81 151.26 45.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.523 . . . . 75.420000000000002 111.524 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.77 -42.46 3.11 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.62 -0.718 . . . . 72.030000000000001 112.914 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -97.1 -8.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.246 0.461 . . . . 62.210000000000001 112.246 -173.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -111.69 11.71 21.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.241 0.83 . . . . 64.219999999999999 113.241 -173.286 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.76 -34.59 71.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.914 -0.492 . . . . 74.519999999999996 111.773 -171.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -98.44 9.43 43.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.309 0.576 . . . . 72.109999999999999 110.819 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.494 HG23 ' HA ' ' A' ' 71' ' ' HIS . 44.9 t -74.18 114.54 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.196 -0.456 . . . . 71.439999999999998 109.799 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.7 119.73 31.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.93 0.395 . . . . 75.129999999999995 110.812 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.4 mp -86.51 117.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.929 -0.767 . . . . 63.109999999999999 108.929 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.4 mt -96.24 126.17 48.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.054 -0.521 . . . . 72.299999999999997 110.947 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 14' ' ' ILE . 37.9 tp -79.94 110.35 15.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.91 -0.586 . . . . 72.549999999999997 109.587 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 89.8 mt -88.73 -42.4 11.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.007 0.432 . . . . 74.439999999999998 110.376 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -107.05 130.46 54.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.53 -0.915 . . . . 73.209999999999994 108.53 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -125.42 85.14 2.36 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.327 0.584 . . . . 64.439999999999998 110.429 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.749 HD23 ' H ' ' A' ' 82' ' ' LEU . 2.0 pt? -105.16 -35.27 7.65 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.453 -0.794 . . . . 60.039999999999999 109.992 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 19.3 tt0 56.31 -109.96 0.52 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.791 -1.095 . . . . 61.420000000000002 109.853 -172.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 83' ' ' GLU . 8.6 p80 171.12 -40.3 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.078 0.551 . . . . 72.420000000000002 110.03 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.214 -0.898 . . . . 74.209999999999994 110.85 -174.672 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 7' ' ' VAL . 9.1 p . . . . . 0 N--CA 1.467 0.408 0 N-CA-C 112.157 0.429 . . . . 74.3 112.157 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.59 -34.05 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 45.53 111.212 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -82.45 -36.5 26.53 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.704 0.764 . . . . 63.51 109.311 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.78 -37.8 83.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.246 -1.343 . . . . 72.13 111.343 -177.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 3' ' ' VAL . 97.3 t -56.15 -47.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.022 -0.536 . . . . 53.52 110.943 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 95.4 m-20 -73.05 -30.99 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 62.55 110.953 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 55.0 tp -62.67 -43.71 98.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.485 -0.561 . . . . 73.32 109.485 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 49' ' ' THR . 50.2 tp -57.28 -50.97 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.15 -0.932 . . . . 71.41 111.023 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 8' ' ' ASN . 22.7 m -64.78 -29.85 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.478 -0.328 . . . . 75.32 111.609 -176.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 35.6 mt-10 -69.77 -48.11 60.48 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.054 -0.35 . . . . 72.5 110.054 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.5 mm-40 -60.47 -40.5 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.776 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' LEU . 87.9 mt -63.46 -33.11 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 70.24 110.593 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -64.76 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.663 -0.244 . . . . 72.43 111.241 178.352 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -45.48 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.205 0.446 . . . . 72.34 112.205 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -81.53 -23.75 37.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.011 0.374 . . . . 71.31 112.011 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.567 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -82.15 151.54 30.16 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.084 -0.579 . . . . 64.35 113.215 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -121.85 153.17 38.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.056 -0.72 . . . . 44.13 109.056 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -77.57 131.1 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.275 0.559 . . . . 74.41 111.855 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -88.88 -173.86 4.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.362 -0.835 . . . . 65.13 109.552 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.39 67.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.405 0.521 . . . . 53.53 112.405 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.32 -1.67 37.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.214 0.53 . . . . 73.11 110.977 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.06 -1.14 87.76 Favored Glycine 0 C--O 1.228 -0.242 0 C-N-CA 121.117 -0.563 . . . . 70.42 112.925 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 61.7 mttp -98.36 153.37 18.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.84 0.353 . . . . 70.05 110.874 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 15' ' ' HIS . 95.1 mt -72.86 135.69 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.294 0.569 . . . . 45.44 110.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 13.8 m -143.67 142.12 30.85 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.658 -0.701 . . . . 75.12 109.804 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.567 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 7.2 p -133.33 136.65 54.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.969 -0.382 . . . . 51.24 109.969 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.69 141.1 51.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.76 0.314 . . . . 64.35 110.787 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -51.89 -41.07 61.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.562 -0.745 . . . . 75.54 111.305 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 72' ' ' ASP . . . -61.62 -34.16 87.53 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.993 -0.622 . . . . 72.21 112.722 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.18 -47.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.932 0.396 . . . . 71.13 110.464 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.01 -43.96 81.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 74.51 109.761 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 50.9 t80 -61.22 -37.88 84.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 74.43 110.479 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -48.02 77.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 73.33 110.77 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -41.21 84.26 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.989 -0.55 . . . . 75.24 110.845 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.85 -32.36 73.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.347 -0.388 . . . . 74.14 111.223 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 29.7 mmmt -64.0 -21.0 66.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.983 -0.448 . . . . 71.44 111.534 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -87.83 -48.25 7.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 62.22 111.351 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.91 -26.45 13.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.365 0.506 . . . . 60.21 112.365 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 m120 54.25 68.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.773 0.797 . . . . 74.1 110.172 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.03 -40.36 24.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.633 -1.167 . . . . 73.0 109.727 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -108.23 100.0 9.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.032 -0.986 . . . . 73.44 109.378 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.52 -30.59 67.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.107 0.479 . . . . 72.23 110.423 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.14 84.56 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 73.31 109.601 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.66 -44.68 89.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.5 110.993 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.39 -45.81 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.416 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.99 92.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.069 -0.586 . . . . 72.13 112.798 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 10' ' ' LEU . 27.6 m -67.42 -42.18 83.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 52.31 110.205 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.02 -44.89 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.954 -0.566 . . . . 60.44 110.527 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -58.35 -46.28 86.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.856 -0.611 . . . . 73.13 111.088 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.1 -46.45 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 73.52 111.257 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.03 58.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 52.2 111.25 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 85.2 tttt -73.89 -32.24 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.893 -0.41 . . . . 60.42 109.893 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 3.0 mmp_? -73.39 -29.9 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 63.12 110.862 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -84.58 0.92 48.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 75.04 110.858 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HE2' ' HB2' ' A' ' 57' ' ' LYS . 2.1 mppt? 58.29 30.22 19.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.879 -0.6 . . . . 65.51 110.575 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.599 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 77.6 mt -83.97 -40.61 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.606 -0.725 . . . . 73.13 109.452 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.71 155.98 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 63.15 109.982 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.547 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.6 t -134.42 147.69 50.5 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.608 -0.516 . . . . 75.5 109.608 173.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 22.7 p90 -157.37 136.08 7.82 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.857 -0.611 . . . . 70.11 109.419 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.766 ' HD2' HG13 ' A' ' 74' ' ' VAL . 35.0 Cg_exo . . . . . 0 N--CA 1.463 -0.322 0 C-N-CA 122.357 2.038 . . . . 52.25 111.736 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.7 m80 . . . . . 0 C--O 1.226 -0.152 0 CA-C-O 120.945 0.403 . . . . 75.31 110.099 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.415 ' HB2' ' HA3' ' A' ' 31' ' ' GLY . 13.1 p-10 -67.85 -21.85 65.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.516 . . . . 74.32 111.682 -174.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 -4.07 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.223 0.535 . . . . 51.52 110.983 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.766 HG13 ' HD2' ' A' ' 62' ' ' PRO . 51.3 t -73.96 119.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.915 -0.584 . . . . 54.34 110.614 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.51 124.71 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 75.13 110.449 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 27' ' ' SER . 7.7 mm -85.22 108.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.283 -1.006 . . . . 73.23 108.283 175.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -92.42 126.69 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.323 -0.399 . . . . 73.51 111.167 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 34.9 tp -80.26 110.16 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.539 -0.541 . . . . 65.11 109.539 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.547 HD11 ' HB ' ' A' ' 60' ' ' THR . 85.7 mt -88.87 -43.48 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.215 0.531 . . . . 70.23 110.233 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.599 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.9 tt0 -114.09 131.92 56.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.544 -0.753 . . . . 73.14 109.358 -177.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 . . . . . 0 C--N 1.317 -0.818 0 CA-C-O 121.453 0.644 . . . . 51.52 111.608 -176.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.4 p . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 112.372 0.508 . . . . 73.53 112.372 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.86 86.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.003 0.43 . . . . 54.23 110.247 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -79.9 -31.67 40.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 74.32 111.022 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 64.21 110.101 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 3' ' ' VAL . 67.0 t -61.18 -44.06 97.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.184 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 34.2 m-20 -61.64 -43.04 99.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.437 -0.579 . . . . 64.13 109.437 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.702 HD21 ' HB3' ' A' ' 42' ' ' LEU . 60.0 tp -63.41 -35.39 80.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.598 . . . . 61.12 109.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.693 HD22 HG22 ' A' ' 49' ' ' THR . 44.6 tp -60.69 -52.25 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 65.13 110.139 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 8' ' ' ASN . 30.8 m -67.27 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.472 -0.331 . . . . 54.54 110.959 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.575 ' HB3' HH21 ' A' ' 16' ' ' ARG . 42.5 mt-10 -61.93 -50.49 71.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 64.02 110.567 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -66.69 -40.81 88.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 60.51 110.924 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 10' ' ' LEU . 93.0 mt -60.26 -33.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 70.24 110.717 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 72.41 111.535 177.423 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' A' ' 12' ' ' GLU . 25.3 mtm-85 -88.21 -25.69 22.76 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.573 0.953 . . . . 73.31 113.573 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -97.25 -16.54 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.217 -0.302 . . . . 71.33 111.1 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.56 21.68 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.844 -0.693 . . . . 52.54 112.891 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -125.4 155.53 40.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.55 -0.537 . . . . 62.45 109.55 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -85.94 133.73 33.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.501 . . . . 72.54 111.273 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -87.04 -175.18 5.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.524 -0.762 . . . . 72.11 110.823 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -26.49 67.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 52.21 111.679 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.456 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t70 -79.17 -16.81 56.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 73.22 110.628 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.24 4.01 59.93 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.98 -0.629 . . . . 73.05 112.293 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 61.6 mttp -91.93 149.25 21.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.622 0.249 . . . . 71.3 110.401 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 15' ' ' HIS . 74.2 mt -77.26 144.48 38.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 71.23 110.528 176.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -143.22 141.8 31.2 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.583 -0.525 . . . . 74.11 109.583 174.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.92 137.28 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.723 -0.473 . . . . 75.01 109.723 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -74.29 129.07 37.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.991 0.424 . . . . 70.01 110.791 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 85.2 t80 -55.8 -41.5 74.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.276 -0.875 . . . . 74.54 111.766 -175.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.27 -39.8 93.05 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.862 -0.685 . . . . 73.43 112.514 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.06 -49.99 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.645 0.259 . . . . 74.53 110.403 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.36 -46.24 89.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.692 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.56 -47.99 81.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 74.53 110.817 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 ttm105 -67.55 -35.16 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.497 . . . . 65.53 110.589 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.04 -50.16 51.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.095 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.77 -44.95 90.77 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.879 -0.6 . . . . 73.1 111.564 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.946 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -66.73 -19.37 65.74 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.58 -0.448 . . . . 71.51 111.475 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -88.19 -34.75 17.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.002 0.43 . . . . 71.24 111.13 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.16 -30.46 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.181 0.437 . . . . 64.3 112.181 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.62 60.22 0.47 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.566 0.746 . . . . 44.11 110.109 -173.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.702 ' HB3' HD21 ' A' ' 9' ' ' LEU . 79.1 mt -81.87 -49.19 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.944 -1.025 . . . . 74.14 110.303 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.8 126.16 47.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.655 -0.702 . . . . 75.13 110.29 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.08 69.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.698 0.761 . . . . 74.33 109.132 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.26 84.23 2.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.866 . . . . 74.35 109.983 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.24 -48.4 81.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 53.12 110.921 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.96 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 75.53 110.632 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.36 96.9 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.966 -0.635 . . . . 53.52 112.166 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.693 HG22 HD22 ' A' ' 10' ' ' LEU . 32.0 m -63.26 -45.75 90.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.076 0.465 . . . . 75.22 110.522 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.57 -46.02 91.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.681 -0.69 . . . . 70.12 111.032 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -44.02 95.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 72.55 111.721 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -55.5 -52.12 64.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.923 -0.58 . . . . 73.53 111.042 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.662 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -72.33 -33.14 67.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 62.23 111.456 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.6 -38.53 87.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 74.45 110.43 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 19.3 mmt180 -76.16 -21.3 56.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.421 -0.354 . . . . 72.3 111.612 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.777 ' HB2' HG12 ' A' ' 58' ' ' ILE . 99.8 mtt180 -88.22 -0.01 56.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.573 0.225 . . . . 75.42 110.861 176.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 58.76 30.41 19.98 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.234 0.54 . . . . 61.23 110.756 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.777 HG12 ' HB2' ' A' ' 56' ' ' ARG . 33.9 mm -76.66 -45.1 33.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.47 -0.937 . . . . 73.41 108.47 173.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.71 166.74 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.036 -0.983 . . . . 63.43 109.792 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.436 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.8 t -145.52 148.2 32.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 60.33 110.323 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -162.2 133.5 3.83 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.558 -0.746 . . . . 75.04 109.899 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo . . . . . 0 N--CA 1.459 -0.501 0 C-N-CA 122.668 2.245 . . . . 65.55 112.157 -179.475 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 15.4 m-70 . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.602 0.239 . . . . 63.34 110.603 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -54.94 -39.32 68.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.739 -0.664 . . . . 74.2 111.553 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -96.18 -0.98 49.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.115 0.483 . . . . 75.01 111.159 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.19 121.93 27.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.074 0.464 . . . . 73.3 110.603 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.6 122.43 27.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.453 -0.794 . . . . 71.11 110.898 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.5 mm -85.66 112.79 22.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.395 -0.965 . . . . 50.31 108.395 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.9 mt -92.43 130.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.073 0.463 . . . . 60.41 111.843 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -85.45 113.33 21.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.354 -0.839 . . . . 74.21 109.928 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.436 HD11 ' HB ' ' A' ' 60' ' ' THR . 91.2 mt -86.16 -42.09 14.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.375 -0.375 . . . . 61.33 110.41 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -117.68 132.26 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 73.42 109.707 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.0 t0 . . . . . 0 C--N 1.322 -0.587 0 CA-C-O 121.128 0.489 . . . . 62.11 110.372 -178.228 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 7' ' ' VAL . 13.3 p . . . . . 0 CA--C 1.527 0.08 0 CA-C-O 120.579 0.228 . . . . 74.21 111.483 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.08 -44.14 94.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 62.01 110.471 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -79.62 -27.05 41.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 72.41 111.157 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -65.64 -29.8 70.42 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.864 -0.421 . . . . 72.15 109.864 176.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 53' ' ' ALA . 95.8 t -65.32 -42.03 92.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.135 -0.484 . . . . 61.44 110.205 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.404 ' O ' HG22 ' A' ' 11' ' ' VAL . 3.4 t-20 -66.55 -31.87 72.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.305 0.574 . . . . 71.43 110.298 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 42' ' ' LEU . 67.2 tp -69.06 -43.55 74.42 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.519 -0.548 . . . . 74.51 109.519 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.455 HD22 HG22 ' A' ' 49' ' ' THR . 56.4 tp -56.76 -47.12 80.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.302 -0.863 . . . . 63.43 111.172 178.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.498 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 18.9 m -66.43 -34.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 64.53 111.101 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -41.86 98.11 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.77 -0.456 . . . . 74.0 109.77 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 41.9 mm-40 -61.15 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.858 -0.61 . . . . 75.32 110.162 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -68.5 -34.32 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 62.03 110.836 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.745 ' HA ' HD13 ' A' ' 26' ' ' LEU . 20.9 m-70 -60.15 -36.11 76.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.156 0.503 . . . . 72.43 110.478 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 16' ' ' ARG . 24.6 ttm105 -86.67 -47.42 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.776 . . . . 72.14 111.855 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.6 -22.81 22.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 71.43 111.775 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.6 164.38 29.11 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.695 -0.764 . . . . 70.23 112.722 -174.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -121.83 150.23 42.21 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.89 -0.411 . . . . 62.45 109.89 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -78.07 123.77 27.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.219 0.533 . . . . 62.35 111.051 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.06 -172.22 1.03 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.19 -0.914 . . . . 62.12 111.072 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -29.2 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 75.51 111.903 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -86.82 -13.48 44.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.355 0.597 . . . . 74.33 110.955 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.7 6.54 59.45 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.617 -0.802 . . . . 62.41 112.194 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -83.69 130.06 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.995 -0.372 . . . . 73.22 109.995 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 15' ' ' HIS . 44.7 mt -75.98 127.15 32.38 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.066 -0.515 . . . . 74.13 110.793 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.4 p -129.66 145.05 51.54 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.314 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.88 138.41 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.607 -0.724 . . . . 73.42 109.561 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.585 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 91.8 mttt -67.65 134.0 50.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.097 0.475 . . . . 72.42 110.577 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 50' ' ' LEU . 28.6 t80 -60.0 -26.37 66.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.288 -0.869 . . . . 62.44 110.597 -178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.52 -36.61 93.42 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.588 -0.815 . . . . 75.33 112.031 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -76.45 -47.81 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.894 0.378 . . . . 34.34 110.376 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.99 -46.08 89.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.749 -0.659 . . . . 65.42 110.286 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 86.5 t80 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.41 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -59.88 -46.69 88.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 73.14 111.053 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.03 -38.75 82.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 74.23 111.212 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.2 -31.15 70.47 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.769 -0.372 . . . . 55.14 110.653 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 26.8 mmmt -56.48 -24.72 47.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.024 -0.422 . . . . 73.11 111.329 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -88.48 -22.85 23.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.244 0.461 . . . . 42.55 112.244 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.53 -34.6 3.58 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.679 0.622 . . . . 74.23 112.679 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.468 HD22 ' HA ' ' A' ' 41' ' ' ASN . 4.3 m120 48.01 70.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.578 0.704 . . . . 74.52 110.513 -169.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HB3' HD21 ' A' ' 9' ' ' LEU . 92.1 mt -80.79 -29.72 36.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.099 -0.955 . . . . 74.03 108.873 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 46' ' ' LEU . 21.6 m-85 -108.0 124.85 50.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.605 -1.18 . . . . 75.41 109.196 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.3 -37.91 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 72.24 109.568 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.43 86.61 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.596 -0.729 . . . . 73.14 109.561 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 43' ' ' PHE . 44.5 tp -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 54.42 111.519 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 62.5 t -65.94 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 55.21 109.95 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.1 -41.87 52.91 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.799 -0.637 . . . . 73.33 111.926 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.455 HG22 HD22 ' A' ' 10' ' ' LEU . 7.0 m -59.32 -38.66 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.938 0.399 . . . . 62.2 110.465 176.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 30' ' ' PHE . 90.0 mt -61.49 -41.9 97.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.931 -0.577 . . . . 51.11 110.832 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.463 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 33.7 mmtm -56.2 -48.87 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 74.22 110.634 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.97 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.832 -0.622 . . . . 74.43 111.418 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.585 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -71.47 -38.29 71.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.828 -0.624 . . . . 72.01 111.648 -175.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.598 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 84.6 tttt -63.14 -42.8 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 73.4 110.242 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 9.0 mmt85 -77.78 -14.84 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 71.32 111.253 -177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HB2' HG12 ' A' ' 58' ' ' ILE . 90.4 mtt180 -91.95 4.02 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 43.32 110.942 173.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.16 25.04 15.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.117 0.485 . . . . 73.34 111.045 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.614 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.1 mm -78.42 -44.18 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.973 -0.751 . . . . 62.2 108.973 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.5 m -136.04 163.66 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.294 -0.867 . . . . 73.33 109.797 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.529 ' HB ' HD11 ' A' ' 79' ' ' LEU . 11.1 t -142.54 147.99 36.84 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.846 0.355 . . . . 60.13 110.071 174.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.598 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 14.2 p90 -159.05 145.93 12.81 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.555 -0.535 . . . . 73.13 109.555 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 74' ' ' VAL . 32.1 Cg_exo . . . . . 0 C--O 1.233 0.268 0 C-N-CA 122.877 2.385 . . . . 73.4 112.448 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.401 ' CG ' ' HD2' ' A' ' 30' ' ' PHE . 1.4 p-80 . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 111.745 0.276 . . . . 63.44 111.745 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 8.7 p-10 -71.13 -31.45 67.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.219 0.451 . . . . 43.43 112.219 -169.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.585 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 17.6 t70 -94.36 1.85 55.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.086 0.469 . . . . 74.5 110.889 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 62' ' ' PRO . 21.1 t -75.11 114.74 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 70.34 110.577 -177.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.69 117.75 21.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.62 0.247 . . . . 75.41 110.412 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.12 108.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.885 -1.154 . . . . 70.22 107.885 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.7 mt -96.02 124.77 48.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.248 0.547 . . . . 75.43 111.444 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.97 111.17 16.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.216 -0.902 . . . . 75.2 109.595 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.529 HD11 ' HB ' ' A' ' 60' ' ' THR . 78.0 mt -86.46 -38.67 17.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.93 -0.577 . . . . 74.32 110.499 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -102.67 131.22 49.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.149 -0.478 . . . . 72.14 109.735 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.5 t0 . . . . . 0 C--N 1.32 -0.682 0 N-CA-C 108.94 -0.763 . . . . 73.34 108.94 177.256 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.608 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.468 0.45 0 N-CA-C 111.62 0.23 . . . . 75.2 111.62 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.45 -41.06 88.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.168 0.508 . . . . 72.02 110.659 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 8' ' ' ASN . 4.7 t-160 -79.75 -26.64 40.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.885 -0.598 . . . . 63.53 110.123 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 9' ' ' LEU . 5.3 mm-40 -66.81 -29.71 69.72 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.786 -0.45 . . . . 74.11 109.786 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 3' ' ' VAL . 46.2 t -64.72 -37.61 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.232 0.539 . . . . 71.53 109.792 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -64.35 -37.75 88.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.898 -0.778 . . . . 65.35 108.898 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 60.0 tp -63.64 -39.25 93.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.73 -0.668 . . . . 74.41 109.558 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 50' ' ' LEU . 61.0 tp -60.68 -50.64 72.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.389 -0.823 . . . . 74.11 111.122 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 14' ' ' ILE . 16.5 m -66.15 -29.55 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 70.14 111.304 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 46.0 mt-10 -61.97 -43.18 99.37 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-O 120.823 0.345 . . . . 62.54 110.217 174.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.12 -35.01 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 55.44 111.012 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 11' ' ' VAL . 85.8 mt -63.02 -37.02 78.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.312 0.577 . . . . 72.25 109.904 174.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -70.58 -30.41 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.797 -0.638 . . . . 74.01 111.426 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -84.67 -44.5 13.36 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.101 0.408 . . . . 71.5 112.101 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.55 HD12 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -105.06 -2.61 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.693 0.256 . . . . 73.22 111.693 -175.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.01 -176.82 24.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.513 -0.851 . . . . 44.0 112.89 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -144.32 156.6 44.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.608 -0.515 . . . . 34.03 109.608 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -83.9 135.99 34.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.322 0.582 . . . . 72.12 111.41 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -87.93 -176.04 5.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.231 -0.895 . . . . 64.14 110.242 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -14.34 62.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.396 . . . . 63.31 112.068 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -87.65 -13.63 42.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.967 0.413 . . . . 71.13 110.343 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.51 3.79 61.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 55.0 111.96 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -96.97 148.44 22.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.765 0.317 . . . . 72.04 110.54 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.76 146.64 47.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.168 0.509 . . . . 51.2 110.357 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -143.23 142.09 31.29 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.875 -0.787 . . . . 64.25 108.875 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 33' ' ' LEU . 7.1 p -139.87 142.23 32.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 110.15 -0.315 . . . . 63.33 110.15 -177.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HB2' HG23 ' A' ' 32' ' ' VAL . 74.9 mmtt -72.46 131.02 42.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.016 0.436 . . . . 73.33 110.51 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.686 ' HD2' ' HB3' ' A' ' 71' ' ' HIS . 65.5 t80 -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.23 -0.896 . . . . 71.02 110.333 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.658 ' HA3' ' HA ' ' A' ' 72' ' ' ASP . . . -58.82 -36.22 86.02 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.569 -0.741 . . . . 62.44 112.555 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.609 HG23 ' HB2' ' A' ' 29' ' ' LYS . 58.3 t -71.1 -48.03 57.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.818 -0.438 . . . . 74.42 109.818 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD23 HD12 ' A' ' 17' ' ' LEU . 20.9 mt -62.44 -47.61 83.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.604 -0.725 . . . . 75.11 111.272 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.87 -40.05 94.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.304 -0.407 . . . . 72.24 110.884 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -69.38 -51.71 34.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.134 -0.484 . . . . 70.3 111.344 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.52 -37.55 80.12 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.795 0.331 . . . . 74.44 110.513 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.29 -49.08 75.42 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.091 -0.504 . . . . 74.33 111.348 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 38' ' ' LYS . 34.4 mmtm -69.73 -13.92 62.53 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.615 -0.434 . . . . 73.54 111.248 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 t -87.9 -25.19 23.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.917 0.389 . . . . 63.51 110.911 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.32 -30.68 9.0 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.916 0.389 . . . . 74.14 111.797 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.6 m120 69.94 51.36 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.171 0.988 . . . . 52.33 110.892 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -82.28 -48.71 10.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.249 -0.887 . . . . 74.25 109.902 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -118.14 98.24 6.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.59 -0.732 . . . . 74.1 109.318 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.12 -46.48 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.505 -0.554 . . . . 73.51 109.505 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.16 84.1 1.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.915 -0.584 . . . . 70.12 110.077 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.64 -39.6 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.625 . . . . 71.12 110.377 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 51.3 t -63.43 -39.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.777 -0.647 . . . . 71.11 110.627 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.45 86.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.774 -0.727 . . . . 52.22 112.163 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -58.72 -38.66 78.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 65.32 110.876 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 10' ' ' LEU . 88.5 mt -64.84 -44.52 89.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.082 -0.508 . . . . 75.32 111.283 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 14.2 mmmm -63.36 -39.48 94.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.618 0.247 . . . . 73.13 110.428 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -51.78 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.412 0.625 . . . . 62.22 110.509 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -73.62 -27.7 61.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.457 -0.792 . . . . 64.14 111.607 -177.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 59.8 tttm -72.3 -34.29 68.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.85 0.357 . . . . 74.14 110.215 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.96 -27.45 60.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 73.01 110.459 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -89.11 1.91 54.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.387 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 51.64 37.14 19.15 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 115.445 -0.798 . . . . 71.04 111.89 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 63.0 mt -82.52 -37.26 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 114.792 -1.094 . . . . 63.4 108.412 171.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -131.41 160.9 42.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.04 -0.982 . . . . 73.52 109.606 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.2 t -145.31 147.25 32.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 74.43 110.271 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 12.9 p90 -160.66 155.65 20.79 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.637 -0.875 . . . . 64.11 108.637 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 C--N 1.343 0.243 0 C-N-CA 122.351 2.034 . . . . 64.54 113.221 -175.707 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.686 ' HB3' ' HD2' ' A' ' 30' ' ' PHE . 39.8 m80 . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.009 0.374 . . . . 75.32 112.009 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.658 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 20.9 t70 -60.07 -38.51 83.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.047 0.758 . . . . 75.12 113.047 -168.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.431 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 23.5 t0 -97.3 6.67 47.97 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.32 -0.552 . . . . 74.54 111.668 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.8 t -75.24 116.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 50.14 110.271 176.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.28 116.39 22.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 63.03 110.708 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.8 mm -86.26 108.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.975 -1.12 . . . . 72.42 107.975 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -94.01 128.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 72.33 111.028 -173.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.2 tp -85.3 110.55 19.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.813 -0.631 . . . . 64.34 109.963 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.92 -42.39 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.252 0.549 . . . . 74.42 110.184 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.555 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 8.0 tt0 -108.7 130.94 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.391 -0.822 . . . . 70.12 108.983 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 46.7 t0 . . . . . 0 C--N 1.321 -0.658 0 CA-C-O 121.131 0.491 . . . . 43.3 110.341 -177.103 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.8 p . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 112.988 0.736 . . . . 63.22 112.988 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.58 -36.8 83.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.893 0.378 . . . . 70.42 110.632 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -67.98 -40.01 83.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 73.03 110.463 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -57.09 -42.28 80.42 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.458 0.474 . . . . 60.21 110.201 179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 3' ' ' VAL . 94.0 t -60.07 -47.17 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 115.994 -0.548 . . . . 72.45 111.419 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.7 t30 -70.56 -37.55 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 73.03 110.103 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 42' ' ' LEU . 66.3 tp -60.07 -40.35 89.2 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.433 -0.58 . . . . 74.42 109.433 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 49' ' ' THR . 53.3 tp -57.85 -51.48 69.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.451 -0.795 . . . . 63.32 110.946 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 8' ' ' ASN . 19.6 m -66.42 -30.19 49.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.421 -0.354 . . . . 74.32 111.329 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 43.5 mt-10 -67.8 -45.15 75.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.926 0.393 . . . . 73.22 110.216 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 30.6 mm-40 -64.83 -37.77 88.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.997 -0.547 . . . . 73.44 111.205 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 10' ' ' LEU . 77.6 mt -63.82 -33.65 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 61.12 110.11 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -63.78 -39.88 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.52 111.637 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' OE1' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -87.24 -36.62 17.85 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.913 0.338 . . . . 74.24 111.913 -177.002 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.5 tp -93.43 -18.96 21.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.074 0.398 . . . . 61.41 112.074 -170.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.05 -171.56 32.57 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.478 -0.868 . . . . 71.25 113.151 -174.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -143.49 155.69 44.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.628 -0.878 . . . . 74.41 108.628 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -83.57 134.97 34.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.437 0.637 . . . . 54.3 111.481 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.538 HD21 ' HB2' ' A' ' 27' ' ' SER . 92.2 m-20 -81.26 178.0 8.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.091 -0.959 . . . . 64.33 110.324 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.27 -13.56 62.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.228 0.537 . . . . 73.44 110.254 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.61 -18.32 54.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.448 -0.796 . . . . 71.22 109.485 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.46 65.41 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.792 -0.64 . . . . 73.13 112.253 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 55.5 mttp -98.88 151.76 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.769 -0.253 . . . . 65.54 111.039 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.52 146.48 46.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 53.44 110.718 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB2' HD21 ' A' ' 21' ' ' ASN . 30.6 t -144.25 152.5 40.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.777 -0.453 . . . . 64.11 109.777 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.84 141.65 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.952 -0.299 . . . . 61.41 111.064 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 3.1 mmmp? -62.28 136.55 57.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.562 0.22 . . . . 71.52 110.786 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.28 -42.59 77.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.502 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.481 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -62.54 -35.55 91.94 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.734 -0.667 . . . . 62.22 112.987 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 29' ' ' LYS . 76.9 t -69.45 -47.8 70.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.907 0.384 . . . . 73.31 110.39 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.3 tt -62.36 -45.76 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 63.23 109.725 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.549 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 54.3 t80 -60.88 -45.13 95.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 75.21 110.663 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -58.87 -50.8 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 73.33 111.653 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.91 -38.41 79.55 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.094 -0.336 . . . . 75.53 110.094 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.15 -49.79 70.92 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.4 -0.364 . . . . 64.42 110.848 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 28.2 mtpp -57.1 -14.03 3.5 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.874 0.694 . . . . 73.24 112.874 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -65.59 -37.0 85.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 72.13 110.145 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.85 -17.82 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 25.13 111.087 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.474 HD22 ' HA ' ' A' ' 41' ' ' ASN . 2.0 m120 53.32 68.99 0.75 Allowed 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.916 0.865 . . . . 71.11 109.81 -170.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.1 mt -80.39 -35.76 34.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.422 -1.263 . . . . 73.33 109.515 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -97.8 114.54 26.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.441 -0.799 . . . . 74.41 109.764 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.93 -44.59 91.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 65.34 109.857 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.7 95.2 3.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.302 -0.863 . . . . 61.22 109.776 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 54.4 tp -57.65 -37.83 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 72.45 111.305 -176.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.06 -42.59 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 61.11 110.692 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.23 -42.32 94.29 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.156 -0.545 . . . . 72.12 111.902 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.62 HG22 HD22 ' A' ' 10' ' ' LEU . 8.8 m -57.24 -40.93 78.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.931 0.396 . . . . 71.11 110.728 175.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.7 mt -65.02 -45.6 84.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.003 -0.544 . . . . 75.3 110.491 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -53.69 -45.72 70.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.04 -0.527 . . . . 73.23 111.013 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.01 73.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.715 -0.675 . . . . 42.11 111.474 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -26.93 61.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.077 -0.51 . . . . 61.55 111.734 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 63.2 tttm -70.36 -38.75 74.85 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 74.21 110.458 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -72.77 -26.59 61.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.75 0.309 . . . . 54.15 110.925 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.07 3.03 40.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 75.01 110.489 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 58.91 28.87 18.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.639 -0.71 . . . . 71.13 111.452 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.688 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.9 mt -85.2 -36.54 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.35 -0.841 . . . . 74.53 109.843 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.53 161.37 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.189 -0.459 . . . . 64.15 110.225 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.638 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.1 t -141.93 147.67 37.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.15 0.5 . . . . 73.35 110.503 175.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.467 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 5.0 p90 -161.77 140.91 7.42 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.569 -0.901 . . . . 62.2 108.569 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.732 ' HD2' HG13 ' A' ' 74' ' ' VAL . 73.9 Cg_exo . . . . . 0 C--N 1.347 0.465 0 C-N-CA 122.802 2.334 . . . . 73.21 112.835 -179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.457 -0.091 0 N-CA-C 111.697 0.258 . . . . 71.24 111.697 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.481 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 3.7 t70 -54.78 -32.52 60.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.114 0.483 . . . . 72.24 111.502 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.549 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.0 p-10 -85.64 8.5 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 75.13 111.207 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.732 HG13 ' HD2' ' A' ' 62' ' ' PRO . 40.6 t -82.9 125.65 40.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.177 0.513 . . . . 73.11 109.902 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 33.9 m-20 -91.09 126.17 36.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.583 -0.735 . . . . 74.55 109.99 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -85.77 108.54 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.77 -0.826 . . . . 75.34 108.77 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -94.41 129.73 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.231 -0.44 . . . . 65.23 110.976 -174.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 27.5 tp -81.87 110.77 17.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.645 -0.707 . . . . 64.22 109.557 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.638 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.6 mt -89.77 -29.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.292 -0.413 . . . . 72.53 110.966 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.688 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -128.55 131.9 48.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.352 -0.61 . . . . 72.41 109.352 -175.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 t0 . . . . . 0 C--N 1.324 -0.538 0 CA-C-O 121.238 0.542 . . . . 74.5 111.598 -174.285 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.0 p . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 109.58 -0.526 . . . . 64.45 109.58 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.33 -38.3 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.753 -0.658 . . . . 75.53 110.386 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -72.71 -33.62 66.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 72.23 109.654 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.33 -38.43 91.02 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.068 -0.515 . . . . 71.22 110.143 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.5 t -63.41 -42.12 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 73.43 110.939 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.22 -31.78 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.348 0.594 . . . . 72.44 110.154 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 42' ' ' LEU . 63.8 tp -71.0 -39.43 72.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.842 -0.617 . . . . 73.43 109.603 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.673 HD22 HG22 ' A' ' 49' ' ' THR . 58.7 tp -57.56 -51.8 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.529 -0.76 . . . . 74.1 110.548 178.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.553 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 27.8 m -61.13 -35.35 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 65.34 110.745 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -45.54 86.25 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.94 0.4 . . . . 74.01 110.218 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.401 ' HB3' HD21 ' A' ' 33' ' ' LEU . 51.8 mm-40 -64.39 -30.86 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 70.21 111.245 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 10' ' ' LEU . 78.2 mt -69.0 -34.12 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.829 0.347 . . . . 72.34 110.116 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 33.5 m-70 -70.63 -34.03 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.958 0.409 . . . . 71.22 110.601 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -81.36 -49.21 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.656 0.613 . . . . 65.34 112.656 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD12 HD22 ' A' ' 33' ' ' LEU . 88.9 mt -101.27 -12.05 19.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.787 0.327 . . . . 70.22 111.141 -174.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.44 159.81 26.36 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.612 -0.804 . . . . 74.44 112.924 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -120.64 157.41 29.63 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.022 -1.103 . . . . 51.3 108.022 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -76.41 135.99 39.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.245 1.021 . . . . 73.24 111.833 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 9.6 t-20 -72.61 -177.67 2.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.118 -1.855 . . . . 63.42 110.416 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.29 -24.79 59.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.768 0.794 . . . . 71.15 109.256 173.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -80.47 -17.12 52.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.526 -1.216 . . . . 64.13 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.76 2.25 61.41 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.841 -0.695 . . . . 71.34 111.932 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 62.5 mttp -88.96 141.42 28.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.615 -0.292 . . . . 71.12 110.561 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 14' ' ' ILE . 4.0 mm? -66.33 136.44 55.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.019 -0.363 . . . . 72.35 110.019 175.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 m -143.31 142.03 31.18 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.781 0.324 . . . . 64.44 110.365 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.75 137.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.146 -0.479 . . . . 62.01 109.799 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.99 137.27 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.88 -0.328 . . . . 65.23 110.211 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.2 t80 -52.64 -37.52 58.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 63.44 111.202 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.2 95.11 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.13 -0.557 . . . . 31.42 112.81 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.77 -44.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 72.12 110.421 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 17' ' ' LEU . 2.2 tm? -63.06 -46.31 88.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 74.13 110.113 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.581 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 52.3 t80 -64.23 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 70.23 110.284 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -57.19 -48.09 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 71.42 110.949 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -36.82 76.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.882 -0.599 . . . . 74.15 110.508 -175.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.54 -31.62 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.14 110.896 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 57.1 mtpt -66.17 -26.64 67.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.369 . . . . 55.33 110.706 176.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m -87.84 -47.35 8.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 73.03 111.144 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.14 -30.07 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.185 0.439 . . . . 60.24 112.185 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 m120 61.55 57.64 2.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.38 0.609 . . . . 61.02 110.405 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.828 ' HB3' HD21 ' A' ' 9' ' ' LEU . 97.0 mt -82.3 -46.78 13.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 73.03 111.31 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CD2' HD13 ' A' ' 46' ' ' LEU . 70.4 m-85 -95.28 123.06 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 72.11 110.856 -173.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -71.85 -34.24 69.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.174 -0.466 . . . . 72.14 109.783 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.78 84.35 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 72.4 110.332 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.502 HD23 ' HD1' ' A' ' 34' ' ' PHE . 46.3 tp -61.7 -41.74 98.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.739 0.304 . . . . 73.03 111.424 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.08 -36.24 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 74.3 110.265 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -38.0 76.49 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.971 -0.633 . . . . 41.13 111.64 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.673 HG22 HD22 ' A' ' 10' ' ' LEU . 6.6 m -58.56 -45.63 88.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.024 0.44 . . . . 64.54 110.183 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.31 -51.32 69.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.563 -0.744 . . . . 72.32 110.811 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 26.8 mmmt -56.26 -48.34 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 72.33 111.22 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 56' ' ' ARG . . . -57.58 -53.6 56.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.65 . . . . 61.15 111.404 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -68.3 -38.43 81.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.088 -0.506 . . . . 74.4 111.928 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 80.9 tttt -63.35 -46.74 85.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.958 0.408 . . . . 75.42 110.314 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 17.9 mmt180 -76.78 -15.21 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.08 -0.509 . . . . 65.33 111.365 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.66 ' HD3' HD11 ' A' ' 58' ' ' ILE . 11.9 ttt180 -90.25 1.69 56.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.269 -0.423 . . . . 74.14 110.165 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.04 28.34 12.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.26 -0.882 . . . . 64.41 111.244 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.78 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 83.6 mt -91.92 -36.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.231 -0.895 . . . . 71.41 110.229 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 m -137.52 163.19 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.27 -0.423 . . . . 65.21 109.876 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.654 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.2 t -140.11 146.5 38.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.85 -0.426 . . . . 60.23 109.85 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -166.87 147.42 5.07 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.566 -0.743 . . . . 71.05 109.409 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo . . . . . 0 C--O 1.235 0.329 0 C-N-CA 122.538 2.159 . . . . 74.52 111.683 177.503 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.465 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 16.7 t-160 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 111.313 0.116 . . . . 73.12 111.313 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.81 -38.36 78.44 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.292 0.479 . . . . 72.13 112.292 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -91.75 1.91 56.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 61.13 111.092 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.34 125.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.148 -0.478 . . . . 74.53 110.608 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -84.28 120.14 25.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.438 -0.801 . . . . 74.03 110.359 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.44 116.9 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.858 -0.793 . . . . 72.52 108.858 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.47 128.82 52.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.82 0.343 . . . . 64.45 111.274 -173.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -80.35 122.51 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 64.31 110.364 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.654 HD11 ' HB ' ' A' ' 60' ' ' THR . 92.3 mt -99.4 -36.62 9.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 62.44 110.573 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.78 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 6.0 tt0 -127.9 133.54 49.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.822 -0.626 . . . . 72.24 109.768 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 41.3 t0 . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.32 -0.622 . . . . 72.2 109.32 177.1 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.6 p . . . . . 0 N--CA 1.466 0.36 0 N-CA-C 112.704 0.631 . . . . 63.01 112.704 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -56.58 -48.39 77.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.43 0.633 . . . . 73.42 109.729 175.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.04 -37.2 78.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.212 -0.903 . . . . 75.52 110.776 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 3' ' ' VAL . 4.7 mm-40 -58.31 -41.94 85.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 62.23 110.278 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 3' ' ' VAL . 61.2 t -62.69 -47.4 93.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.518 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -60.08 -41.92 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 64.41 110.023 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -62.12 -45.28 94.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.614 -0.721 . . . . 74.14 110.458 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.575 HD21 HD23 ' A' ' 50' ' ' LEU . 56.1 tp -56.75 -47.74 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 71.3 110.122 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.4 t -59.5 -42.61 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.495 -0.775 . . . . 75.32 110.949 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.444 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 43.7 mt-10 -60.08 -49.5 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.963 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 58.9 mm-40 -61.22 -45.65 93.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 73.01 111.115 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' A' ' 78' ' ' LEU . 67.0 mt -63.91 -33.87 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 64.31 110.437 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.705 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.2 t-80 -67.32 -42.69 83.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.935 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.444 ' NH2' ' HB3' ' A' ' 12' ' ' GLU . 7.1 ptp85 -86.38 -38.12 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.261 0.467 . . . . 73.33 112.261 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -87.98 -10.79 49.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 64.42 111.21 -175.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.48 -175.29 26.11 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.736 -0.745 . . . . 33.21 112.801 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.4 t -145.47 148.84 33.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.802 -0.814 . . . . 55.2 108.802 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 63.2 mttm -80.84 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.313 0.578 . . . . 71.41 111.283 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -81.42 -170.74 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.962 -1.017 . . . . 62.01 110.951 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.52 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 71.32 111.819 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -84.49 -15.66 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 75.23 110.045 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.69 8.29 58.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.917 -0.659 . . . . 65.03 112.168 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 47.4 mmtm -98.63 147.04 25.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.041 0.448 . . . . 71.32 110.277 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.705 HD13 ' HA ' ' A' ' 15' ' ' HIS . 40.7 mt -80.08 144.93 32.71 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.742 -0.663 . . . . 75.02 109.984 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.0 m -143.29 142.25 31.28 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 110.148 -0.315 . . . . 74.25 110.148 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 14' ' ' ILE . 8.0 p -146.53 137.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.011 -0.737 . . . . 62.13 109.011 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -77.12 144.14 38.66 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.534 -0.467 . . . . 72.25 110.751 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . 86.6 t80 -51.89 -42.05 62.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.134 -0.939 . . . . 75.2 111.759 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -33.83 87.76 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.237 -0.506 . . . . 50.11 112.869 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.61 -46.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 72.53 110.481 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.59 -43.26 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.629 . . . . 71.15 109.821 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -62.83 -30.41 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 74.21 111.196 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.01 -48.09 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.977 0.418 . . . . 73.23 110.684 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.41 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.51 -38.89 88.99 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.021 -0.536 . . . . 74.05 111.558 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.486 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 6.1 tmtt? -55.85 -40.29 72.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 62.02 110.428 -177.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.2 t -71.16 -41.9 69.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.036 -0.529 . . . . 73.22 111.861 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.88 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.028 0.381 . . . . 64.31 112.028 -173.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.435 ' HA ' HD22 ' A' ' 41' ' ' ASN . 10.2 m120 57.76 63.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.55 0.69 . . . . 74.04 109.88 -171.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.4 -48.56 12.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.088 -0.96 . . . . 55.25 109.24 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CD2' HD13 ' A' ' 46' ' ' LEU . 33.6 m-85 -100.07 102.6 13.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.609 -0.723 . . . . 74.51 109.678 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.12 -40.32 76.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.429 0.633 . . . . 73.02 109.822 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.46 84.62 2.23 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.306 -0.861 . . . . 71.14 109.32 172.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 43' ' ' PHE . 34.7 tp -56.92 -37.81 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.727 -0.669 . . . . 73.33 110.777 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.2 p -63.61 -31.11 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 72.41 110.848 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.61 -45.83 43.08 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.914 -0.66 . . . . 61.43 111.687 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD22 ' A' ' 10' ' ' LEU . 5.5 m -58.07 -44.57 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 73.43 110.553 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.575 HD23 HD21 ' A' ' 10' ' ' LEU . 96.5 mt -60.47 -47.03 87.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.226 -0.443 . . . . 53.21 110.39 176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 51' ' ' LYS . 9.2 tppt? -53.99 -46.87 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.891 -0.595 . . . . 73.42 110.832 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.92 -53.49 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.114 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -71.07 -32.91 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.913 -0.585 . . . . 65.14 111.61 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 87.0 tttt -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.0 0.428 . . . . 72.34 110.696 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -77.07 -13.66 59.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.131 -0.486 . . . . 64.04 110.935 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -93.07 -0.29 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 71.14 110.83 170.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 62.13 30.12 17.71 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.919 -0.582 . . . . 74.13 111.589 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.515 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 62.7 mt -85.61 -39.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.08 -0.711 . . . . 65.21 109.08 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 29.6 m -131.69 169.1 22.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.147 -0.933 . . . . 74.15 109.607 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -151.04 147.31 26.96 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.562 -0.533 . . . . 52.05 109.562 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 10.6 p90 -157.29 133.52 6.14 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.012 0.434 . . . . 62.14 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 16.2 Cg_exo . . . . . 0 C--O 1.235 0.356 0 C-N-CA 123.466 2.777 . . . . 61.24 112.587 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 120.81 0.338 . . . . 60.13 111.828 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.459 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 1.1 m-20 -68.01 -14.6 63.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.493 0.663 . . . . 74.02 109.904 175.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.64 4.42 52.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.491 -0.777 . . . . 71.42 110.084 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -78.77 130.9 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 52.32 110.451 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.51 119.88 21.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.462 -0.79 . . . . 73.03 110.666 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mm -89.48 112.88 25.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.383 -0.969 . . . . 65.52 108.383 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.13 127.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.942 0.401 . . . . 74.32 111.195 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.652 HD23 HD12 ' A' ' 26' ' ' LEU . 44.6 tp -89.84 110.68 21.59 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.313 -0.625 . . . . 74.31 109.313 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.87 -42.24 18.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.006 -0.543 . . . . 71.42 110.541 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 44.0 mt-30 -104.2 131.1 51.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.827 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--N 1.321 -0.653 0 CA-C-N 116.157 -0.474 . . . . 64.11 109.795 175.091 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.7 p . . . . . 0 N--CA 1.469 0.476 0 N-CA-C 113.846 1.054 . . . . 73.44 113.846 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.49 -29.47 64.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.774 0.321 . . . . 74.34 111.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -80.43 -43.95 20.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.297 0.48 . . . . 74.42 112.297 -178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 3' ' ' VAL . 1.3 pm0 -63.07 -28.61 70.2 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 120.239 -0.584 . . . . 60.51 111.041 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 3' ' ' VAL . 97.0 t -62.18 -44.65 99.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 120.73 0.3 . . . . 73.41 110.397 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.38 -36.06 78.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.087 0.47 . . . . 60.1 110.237 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.674 HD21 ' HB3' ' A' ' 42' ' ' LEU . 63.9 tp -63.18 -43.71 97.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 70.41 110.036 176.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.536 HD22 HG22 ' A' ' 49' ' ' THR . 54.2 tp -57.64 -52.28 66.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.475 -0.784 . . . . 54.54 110.869 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 27.0 m -67.15 -30.02 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 73.45 111.434 -177.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.85 -40.35 75.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.944 -0.391 . . . . 65.03 109.944 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 53.0 mm-40 -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.47 -0.332 . . . . 62.34 111.055 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.6 mt -62.84 -34.35 65.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.004 0.43 . . . . 74.41 110.191 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -70.63 -32.01 69.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 62.4 111.147 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB3' HD12 ' A' ' 17' ' ' LEU . 25.1 ttm-85 -82.24 -48.57 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 65.32 111.589 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 16' ' ' ARG . 7.6 mp -91.92 -27.33 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 72.43 111.155 -175.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 28' ' ' VAL . . . -82.41 171.76 51.82 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.975 -0.631 . . . . 70.41 112.994 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 t -134.9 157.17 47.55 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.204 -0.665 . . . . 71.31 109.204 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 mttp -77.13 134.27 38.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.307 0.575 . . . . 63.13 110.594 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -87.56 -174.45 4.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.959 -1.019 . . . . 74.32 110.264 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.4 62.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.389 -0.369 . . . . 74.13 111.719 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -89.33 -17.02 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 71.04 110.245 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 5.77 59.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.859 -0.686 . . . . 63.31 112.537 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 48.4 mttm -91.7 151.92 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.743 -0.466 . . . . 64.44 109.743 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.31 135.61 42.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 74.03 110.257 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.1 m -143.21 142.63 31.48 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 60.02 109.85 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 18' ' ' GLY . 7.1 p -142.84 137.47 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.246 -0.434 . . . . 70.11 110.221 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.814 ' HD2' ' HA ' ' A' ' 73' ' ' ASP . 14.7 mtmt -62.59 126.07 26.07 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.772 0.32 . . . . 73.15 110.215 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.7 t80 -53.21 -38.9 63.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.569 -0.741 . . . . 73.33 110.895 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.28 66.68 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.991 -0.623 . . . . 71.22 112.901 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.45 -48.2 27.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 72.13 110.293 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -39.16 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 61.43 110.282 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.472 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 33.6 t80 -62.57 -38.18 89.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.609 -0.723 . . . . 74.21 110.616 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -71.28 -39.99 71.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 75.03 110.708 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.09 -48.29 79.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 72.21 110.534 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.83 -33.91 73.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 75.5 111.702 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HE3' ' CE2' ' A' ' 34' ' ' PHE . 90.0 mttt -58.14 -25.72 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 72.25 111.645 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 t -87.63 -37.67 16.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.632 0.253 . . . . 73.33 111.097 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -32.93 12.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.422 0.527 . . . . 75.2 112.422 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' N ' HD22 ' A' ' 41' ' ' ASN . 0.9 OUTLIER 66.06 44.03 2.77 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.319 0.581 . . . . 71.42 110.794 -178.248 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.674 ' HB3' HD21 ' A' ' 9' ' ' LEU . 89.0 mt -80.6 -44.07 19.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.856 . . . . 74.13 110.159 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.18 95.76 8.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 71.11 109.655 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.2 -48.78 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.852 -0.613 . . . . 72.34 110.434 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.37 87.76 2.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.707 -0.679 . . . . 75.11 109.445 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 48.0 tp -57.93 -40.88 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 63.42 110.998 -175.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.2 p -61.53 -37.91 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.493 -0.321 . . . . 51.42 110.338 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.78 -41.85 87.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.031 -0.604 . . . . 63.11 111.796 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.536 HG22 HD22 ' A' ' 10' ' ' LEU . 17.2 m -62.03 -41.06 97.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.993 0.425 . . . . 72.04 110.419 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' HE1' ' A' ' 30' ' ' PHE . 94.8 mt -62.86 -47.48 83.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 74.12 110.609 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 30.7 mmmt -59.28 -41.07 88.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.408 -0.36 . . . . 75.34 110.703 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.48 88.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.392 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.47 53.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 55.5 111.129 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.5 tttt -68.0 -37.08 81.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.279 0.562 . . . . 64.15 109.691 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.27 -34.68 75.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.5 -0.773 . . . . 73.21 110.789 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.05 9.48 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.21 111.474 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 63.74 23.78 13.6 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.87 -0.605 . . . . 74.54 110.832 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.699 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.8 mt -85.43 -42.55 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.862 -0.608 . . . . 73.44 110.633 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.39 160.85 42.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.342 -0.39 . . . . 75.13 110.294 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.643 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.2 t -134.31 146.75 50.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.02 0.438 . . . . 74.11 110.317 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 11.8 p90 -164.1 134.78 3.34 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.542 -0.754 . . . . 62.41 109.293 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 5.4 Cg_exo . . . . . 0 N--CA 1.456 -0.69 0 C-N-CA 122.544 2.163 . . . . 75.32 111.705 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.55 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.0 m80 . . . . . 0 CA--C 1.519 -0.243 0 N-CA-C 112.035 0.383 . . . . 73.44 112.035 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.87 -39.18 93.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 73.42 110.897 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.814 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 8.1 t70 -96.0 8.84 42.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.525 . . . . 75.33 110.965 -176.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.5 t -87.57 115.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 52.04 110.308 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.9 125.32 29.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.115 -0.493 . . . . 72.03 110.26 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.44 116.91 29.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.532 -0.914 . . . . 74.32 108.532 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.43 130.18 46.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 60.21 111.407 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.6 tp -80.44 122.32 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.637 -0.71 . . . . 74.03 110.099 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.643 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.7 mt -96.74 -39.13 9.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.058 0.456 . . . . 73.13 110.576 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.699 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -122.3 131.72 54.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.164 -0.68 . . . . 63.34 109.164 -177.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.458 . . . . 65.22 112.02 -174.031 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.1 p . . . . . 0 N--CA 1.464 0.265 0 N-CA-C 112.004 0.372 . . . . 74.31 112.004 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.91 -28.69 69.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.558 -0.292 . . . . 71.54 111.551 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -80.8 -41.24 23.67 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.321 -0.992 . . . . 71.5 108.321 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -41.3 92.55 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.311 -1.313 . . . . 61.22 110.89 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 3' ' ' VAL . 96.6 t -63.91 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 60.03 110.67 176.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.47 ' HA ' HG22 ' A' ' 11' ' ' VAL . 89.2 m-20 -69.4 -28.25 66.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 74.41 110.562 177.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.0 tp -69.98 -42.28 73.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.289 0.566 . . . . 74.51 109.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.533 HD22 HG22 ' A' ' 49' ' ' THR . 56.0 tp -57.1 -49.44 75.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.287 -0.87 . . . . 74.41 110.782 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.499 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 30.0 m -65.52 -34.98 74.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.012 -0.275 . . . . 65.02 111.353 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.13 -40.8 98.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.887 -0.412 . . . . 75.1 109.887 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -66.14 -35.46 80.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.64 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' LEU . 76.1 mt -66.89 -34.17 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.018 0.437 . . . . 72.32 110.236 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.499 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 32.7 m-70 -70.45 -31.05 68.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.96 0.41 . . . . 74.0 110.483 173.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -79.87 -48.94 12.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 64.2 111.825 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 HG12 ' A' ' 32' ' ' VAL . 81.7 mt -105.34 -3.09 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.969 0.414 . . . . 63.1 111.206 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.48 154.37 24.1 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.6 -0.809 . . . . 64.44 112.901 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -120.67 156.21 32.21 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.952 -0.759 . . . . 74.01 108.952 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -84.9 132.32 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.257 0.551 . . . . 55.24 111.539 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -81.04 173.78 12.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 72.21 109.543 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.58 -16.21 64.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.167 0.508 . . . . 73.54 110.52 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -78.57 -14.79 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.583 -0.735 . . . . 72.45 110.656 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.48 12.46 57.1 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.619 -0.801 . . . . 61.32 112.879 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -112.55 152.0 29.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 61.41 110.758 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 15' ' ' HIS . 72.2 mt -80.07 139.7 36.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 61.14 110.593 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.402 ' OG ' HG12 ' A' ' 77' ' ' ILE . 69.5 m -143.88 143.46 31.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.051 -0.522 . . . . 65.22 111.074 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.23 138.04 37.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.442 -0.799 . . . . 73.12 109.23 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' HG23 ' A' ' 32' ' ' VAL . 66.4 mttm -70.97 139.5 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.98 0.419 . . . . 72.12 111.013 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 88.8 t80 -53.91 -38.59 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 75.21 110.804 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.7 -26.73 67.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.233 -0.508 . . . . 55.44 112.917 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 29' ' ' LYS . 54.9 t -76.37 -48.5 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.25 -46.0 85.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.586 -0.734 . . . . 64.44 111.085 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.505 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 15.0 t80 -61.97 -32.93 73.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 72.0 110.439 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 35' ' ' ARG . 4.8 tpt85 -65.43 -52.98 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.578 -0.737 . . . . 65.43 110.984 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.19 -35.9 74.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.462 -0.335 . . . . 74.14 110.498 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.04 -39.89 93.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.454 -0.339 . . . . 74.13 111.289 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 77.2 mttt -70.4 -18.63 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.045 0.45 . . . . 73.23 110.993 178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.16 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.0 -23.25 15.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.525 0.565 . . . . 75.03 112.525 -173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.45 55.72 2.23 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.311 0.577 . . . . 74.41 110.574 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -81.28 -41.0 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.402 -0.817 . . . . 71.11 110.314 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -113.8 99.36 7.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.789 -0.641 . . . . 75.23 109.484 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.46 -29.27 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 63.04 110.505 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.6 83.45 2.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 61.53 109.611 170.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -39.19 88.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.814 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 48.8 t -58.48 -43.01 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.975 -0.557 . . . . 55.22 110.435 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.16 -44.12 94.48 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.138 -0.553 . . . . 73.0 112.237 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.533 HG22 HD22 ' A' ' 10' ' ' LEU . 8.6 m -59.68 -40.36 87.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 61.44 110.674 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.97 -46.51 81.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.844 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 68.1 mmtt -55.51 -48.87 73.96 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.377 -0.374 . . . . 74.33 110.244 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.32 -53.36 57.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 75.54 111.17 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.9 -38.34 79.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.677 -0.692 . . . . 73.01 111.621 -176.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 82.9 tttt -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.908 0.385 . . . . 71.41 110.469 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 23.5 mmt85 -70.49 -25.97 63.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.54 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.673 ' HB3' HG12 ' A' ' 58' ' ' ILE . 27.5 ttt180 -85.15 1.05 49.69 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.984 -0.553 . . . . 65.34 110.276 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 63.12 25.55 14.95 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.642 -0.708 . . . . 74.34 111.491 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.673 HG12 ' HB3' ' A' ' 56' ' ' ARG . 36.2 mm -78.3 -43.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.032 -0.729 . . . . 72.52 109.032 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.41 HG12 HD12 ' A' ' 78' ' ' LEU . 31.3 m -132.67 170.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.2 -0.909 . . . . 72.32 110.317 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.642 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.1 t -146.47 150.94 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.563 -0.532 . . . . 74.32 109.563 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.518 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 9.8 p90 -162.03 141.92 7.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.082 -0.508 . . . . 72.1 109.862 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo . . . . . 0 C--O 1.235 0.356 0 C-N-CA 122.497 2.131 . . . . 75.25 111.617 176.219 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 74' ' ' VAL . 1.5 t60 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.986 0.422 . . . . 54.23 110.394 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -67.9 -36.5 80.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.829 0.677 . . . . 60.21 112.829 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.48 -7.13 59.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 44.4 110.033 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 71' ' ' HIS . 73.8 t -76.92 132.88 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.54 -0.755 . . . . 73.14 110.87 -178.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -83.44 129.23 34.98 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.047 -0.979 . . . . 74.41 110.648 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.11 116.34 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.958 -0.756 . . . . 74.03 108.958 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.402 HG12 ' OG ' ' A' ' 27' ' ' SER . 55.7 mt -99.34 130.86 47.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.308 -0.405 . . . . 74.32 111.461 -171.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.41 HD12 HG12 ' A' ' 59' ' ' VAL . 35.3 tp -84.16 121.1 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 73.22 110.284 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.642 HD11 ' HB ' ' A' ' 60' ' ' THR . 93.3 mt -94.97 -43.91 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 73.15 111.106 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.493 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 41.5 mt-30 -107.97 132.01 53.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.264 -0.426 . . . . 73.41 110.196 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 . . . . . 0 C--N 1.32 -0.717 0 CA-C-O 121.444 0.64 . . . . 64.43 110.056 177.855 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.764 0.316 . . . . 70.1 111.057 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -41.87 92.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 64.51 110.681 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -76.46 -28.29 56.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.849 -0.614 . . . . 73.11 110.905 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -73.19 -31.64 64.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.306 . . . . 65.22 111.152 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 3' ' ' VAL . 73.7 t -63.15 -49.16 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.788 -0.187 . . . . 52.41 111.124 178.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.512 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.9 p-10 -72.21 -30.92 65.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.578 -0.449 . . . . 62.11 110.116 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 42' ' ' LEU . 56.6 tp -60.98 -43.63 98.55 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.572 -0.529 . . . . 75.51 109.572 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 49' ' ' THR . 57.8 tp -56.54 -51.1 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.372 -0.831 . . . . 63.32 110.91 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 8' ' ' ASN . 3.5 m -66.57 -30.95 51.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 64.32 110.757 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mt-10 -72.36 -37.1 68.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.952 -0.299 . . . . 71.42 110.884 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -63.98 -36.88 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.703 -0.48 . . . . 72.21 109.703 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 10' ' ' LEU . 71.0 mt -66.33 -32.84 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 73.34 110.18 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 24.7 m170 -59.06 -35.38 73.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.901 0.382 . . . . 75.44 110.681 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -86.63 -48.59 8.18 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.078 0.399 . . . . 72.3 112.078 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -94.59 -3.11 50.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.192 0.442 . . . . 64.33 112.192 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.62 133.6 11.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.647 -0.787 . . . . 74.32 113.389 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -96.49 145.78 25.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.008 -0.738 . . . . 55.44 109.008 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -78.24 129.96 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.423 0.63 . . . . 61.23 112.37 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.529 HD21 ' HB2' ' A' ' 27' ' ' SER . 95.4 m-20 -87.66 177.9 6.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.173 -0.921 . . . . 71.42 109.258 171.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.56 -17.1 62.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 73.25 111.245 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB3' ' HG3' ' A' ' 25' ' ' LYS . 1.2 m-20 -78.87 -16.89 56.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.72 -0.673 . . . . 73.4 111.612 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.07 2.88 88.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.454 -1.059 . . . . 40.34 110.454 -167.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 65.0 mttp -83.71 152.8 24.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.461 -0.57 . . . . 75.41 109.461 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -97.09 125.29 41.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.969 0.414 . . . . 75.45 110.772 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB2' HD21 ' A' ' 21' ' ' ASN . 12.2 t -115.38 142.99 45.95 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.262 -0.644 . . . . 52.32 109.262 175.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.96 138.02 44.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 C-N-CA 120.153 -0.619 . . . . 72.11 110.332 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.639 ' HB2' HG23 ' A' ' 32' ' ' VAL . 73.5 mmtt -64.38 135.56 56.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.948 0.404 . . . . 74.42 110.352 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -56.7 -38.82 72.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 73.15 109.962 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.52 90.5 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.848 -0.691 . . . . 62.33 111.947 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' A' ' 29' ' ' LYS . 50.6 t -62.35 -46.37 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.122 0.487 . . . . 74.35 110.296 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -46.42 79.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.382 -0.827 . . . . 64.34 110.407 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -68.29 -38.88 82.11 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.318 -0.401 . . . . 74.23 111.24 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -71.48 -29.41 64.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.674 0.273 . . . . 64.4 111.028 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.79 -47.26 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.274 -0.639 . . . . 75.21 109.274 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.49 -31.16 71.72 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.185 0.517 . . . . 72.43 110.652 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -56.64 -34.0 66.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.135 0.493 . . . . 71.32 110.445 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.0 m -88.99 -34.5 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.912 -0.586 . . . . 70.02 112.277 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.46 -34.72 9.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.87 0.693 . . . . 54.22 112.87 -172.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.44 HD22 ' HA ' ' A' ' 41' ' ' ASN . 4.3 m120 53.89 65.45 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.419 0.628 . . . . 43.1 111.123 -172.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 9' ' ' LEU . 88.3 mt -81.91 -31.54 31.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.266 -0.879 . . . . 74.53 109.427 177.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -113.76 121.03 42.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.416 -0.811 . . . . 72.44 109.926 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.58 -41.51 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.258 0.551 . . . . 75.22 110.025 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.9 86.85 2.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.427 -0.806 . . . . 70.23 109.622 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.85 -38.39 82.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.905 -0.589 . . . . 54.44 110.328 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 47.8 t -62.31 -32.74 55.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 72.04 110.487 177.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 -46.64 23.4 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 73.33 112.173 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.545 HG22 HD22 ' A' ' 10' ' ' LEU . 6.9 m -59.43 -44.8 92.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 61.2 110.761 176.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.478 HD23 HD21 ' A' ' 10' ' ' LEU . 95.2 mt -61.39 -35.29 77.09 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.395 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 6.8 tppt? -67.83 -44.38 77.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.867 -0.606 . . . . 72.31 110.689 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.18 86.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 65.53 111.073 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.72 -28.7 60.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.728 -0.669 . . . . 42.51 111.582 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 89.0 tttt -69.95 -35.85 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.113 0.482 . . . . 61.14 109.805 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -64.46 -35.92 82.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.939 -0.573 . . . . 55.44 110.771 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 99.6 mtt180 -89.04 7.54 34.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.591 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 56' ' ' ARG . 6.0 mptt 58.63 23.78 11.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.203 0.601 . . . . 74.2 111.069 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.727 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 90.3 mt -73.8 -42.25 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.148 -0.933 . . . . 64.3 108.852 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.7 m -135.31 159.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.291 -0.868 . . . . 53.33 109.559 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.0 t -138.06 147.54 44.17 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.468 -0.567 . . . . 65.41 109.468 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 28.2 p90 -159.89 135.61 6.03 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 115.764 -0.653 . . . . 74.03 109.701 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 4.2 Cg_exo . . . . . 0 N--CA 1.457 -0.639 0 C-N-CA 122.847 2.364 . . . . 64.24 111.357 177.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.264 0 CA-C-O 120.25 0.072 . . . . 74.24 111.165 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.39 -40.36 59.1 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.229 0.826 . . . . 61.34 113.229 -170.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -95.49 9.01 41.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.989 0.423 . . . . 61.24 111.86 -170.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.6 121.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.091 -0.381 . . . . 75.31 110.133 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 2.5 m-20 -78.96 122.52 26.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 74.22 110.643 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.99 108.84 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.192 -1.04 . . . . 65.33 108.192 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.1 mt -96.58 121.79 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 41.34 111.426 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.416 ' HA ' HG12 ' A' ' 59' ' ' VAL . 8.7 tt -82.61 113.49 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 54.02 109.632 175.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.499 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.8 mt -89.6 -42.18 11.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.75 -0.659 . . . . 65.41 110.724 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.727 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 28.6 tt0 -121.05 131.22 54.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 74.2 109.587 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 C--N 1.319 -0.755 0 N-CA-C 109.472 -0.566 . . . . 72.4 109.472 -179.43 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 7' ' ' VAL . 7.4 p . . . . . 0 CA--C 1.528 0.124 0 N-CA-C 111.73 0.27 . . . . 63.15 111.73 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -62.9 -46.21 88.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.112 0.482 . . . . 70.13 110.386 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -69.52 -32.75 71.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.99 -0.55 . . . . 61.22 110.437 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -67.38 -29.52 69.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 70.23 110.973 -179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 3' ' ' VAL . 86.4 t -61.96 -45.24 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.988 0.423 . . . . 65.41 110.535 174.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -66.48 -31.03 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 60.12 110.486 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 42' ' ' LEU . 58.2 tp -68.2 -41.55 81.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.511 -0.552 . . . . 74.2 109.511 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 49' ' ' THR . 43.0 tp -58.61 -52.03 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 62.32 110.825 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.1 -31.03 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.35 111.039 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.722 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 4.8 mm-40 -69.75 -49.78 49.8 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.358 -0.383 . . . . 62.32 111.079 176.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.02 -40.87 95.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 74.22 110.906 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.618 HG23 HG12 ' A' ' 28' ' ' VAL . 93.5 mt -59.55 -51.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 74.5 111.126 178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 1.036 ' HB2' HD13 ' A' ' 26' ' ' LEU . 4.7 p80 -71.54 -30.94 66.48 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.586 -0.445 . . . . 75.35 111.157 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -78.32 -41.45 33.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.735 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.86 -21.03 26.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 74.52 111.06 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.13 -165.83 40.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.687 -0.768 . . . . 73.01 113.932 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p -142.98 158.1 43.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.13 -0.535 . . . . 52.13 109.843 -176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 45.1 mtmt -77.88 136.01 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 74.35 111.655 -178.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -86.12 171.19 11.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.123 -0.944 . . . . 63.13 108.818 170.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.6 -21.05 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.36 0.6 . . . . 72.43 110.996 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.421 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 16.4 t70 -77.97 -15.15 59.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 71.42 110.413 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.27 -1.46 67.16 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.858 -0.687 . . . . 42.35 112.232 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 53.2 mttp -85.23 151.04 24.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.351 . . . . 65.22 110.491 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.036 HD13 ' HB2' ' A' ' 15' ' ' HIS . 14.2 mt -95.58 118.69 32.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.889 -0.596 . . . . 74.14 110.312 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -122.29 144.78 48.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.415 -0.357 . . . . 73.34 110.843 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 14' ' ' ILE . 14.4 p -139.74 145.93 25.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.232 -0.44 . . . . 72.15 110.292 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 12.3 mttt -65.37 135.57 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.542 -0.299 . . . . 60.35 110.87 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.416 ' HE1' HD11 ' A' ' 50' ' ' LEU . 88.3 t80 -56.61 -41.75 77.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.019 -0.537 . . . . 61.25 110.777 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.532 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -61.1 -32.61 81.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.127 -0.558 . . . . 61.24 112.453 -178.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.7 t -68.2 -51.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 74.1 110.338 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD21 ' HE2' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -64.56 -42.33 95.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.64 . . . . 70.11 110.127 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 37.9 t80 -60.33 -41.12 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 74.42 110.583 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 36' ' ' ASP . 9.9 ttp180 -64.76 -51.83 60.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.314 0.578 . . . . 71.51 110.984 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' A' ' 35' ' ' ARG . 1.4 m-20 -69.93 -36.78 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.522 -0.763 . . . . 74.54 112.137 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.19 -36.99 84.53 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.552 -0.459 . . . . 75.4 110.689 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 84.4 mttt -59.49 -25.08 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.97 0.414 . . . . 63.12 111.158 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -83.24 -29.84 28.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.003 -0.544 . . . . 74.31 111.735 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.54 -25.92 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.283 0.475 . . . . 73.52 112.283 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.411 HD22 ' HA ' ' A' ' 41' ' ' ASN . 12.3 m120 59.29 60.59 2.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.589 0.709 . . . . 71.23 110.167 -174.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.7 mt -80.63 -35.87 33.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.083 -0.962 . . . . 63.25 109.635 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' HE2' HD21 ' A' ' 33' ' ' LEU . 54.2 m-85 -101.14 129.29 47.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.166 -0.925 . . . . 74.25 109.437 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.34 -53.44 16.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.536 -0.913 . . . . 74.41 108.536 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.98 85.12 2.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.404 -0.816 . . . . 61.31 109.863 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 65.9 tp -54.32 -44.36 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 74.21 111.245 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.66 -35.2 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.339 . . . . 45.13 110.758 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.49 62.91 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.903 -0.665 . . . . 65.14 111.973 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.637 HG22 HD22 ' A' ' 10' ' ' LEU . 13.7 m -60.79 -40.5 92.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.848 0.356 . . . . 65.33 110.278 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.0 mt -62.2 -49.37 76.05 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.906 -0.588 . . . . 72.24 110.536 176.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 50.6 mmtt -55.48 -48.99 73.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.78 -0.645 . . . . 71.43 111.147 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 73.44 111.7 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -70.71 -30.44 67.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 72.11 111.365 -177.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.0 tttt -67.99 -41.3 82.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.934 -0.395 . . . . 62.02 109.934 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mmt180 -73.2 -23.67 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 72.43 111.048 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -85.13 3.47 38.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 63.42 110.605 175.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 63.55 25.03 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.908 -0.587 . . . . 72.42 110.71 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.66 HG12 HE21 ' A' ' 80' ' ' GLN . 56.7 mt -87.49 -36.21 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 44.55 110.285 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -135.84 161.88 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.475 -0.33 . . . . 73.12 110.198 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.751 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.8 t -139.58 147.04 40.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.99 0.424 . . . . 62.51 110.279 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.5 p90 -164.86 134.38 2.87 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 62.41 109.503 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.685 ' HD2' HG13 ' A' ' 74' ' ' VAL . 24.5 Cg_exo . . . . . 0 C--O 1.236 0.381 0 C-N-CA 122.817 2.345 . . . . 70.32 112.306 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 . . . . . 0 C--O 1.227 -0.119 0 CA-C-O 120.491 0.186 . . . . 73.12 111.389 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.532 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 16.7 t70 -55.02 -32.45 61.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.481 -0.327 . . . . 52.41 111.465 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.631 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 26.9 t70 -84.21 -3.16 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.4 0.619 . . . . 62.41 110.496 -175.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.685 HG13 ' HD2' ' A' ' 62' ' ' PRO . 94.4 t -83.52 121.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 52.25 109.883 176.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.75 127.78 39.64 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.103 -0.499 . . . . 72.5 109.972 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -86.43 109.26 18.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.716 -0.846 . . . . 75.53 108.716 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.0 mt -95.5 126.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.222 -0.444 . . . . 61.14 111.0 -173.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 tp -79.7 110.76 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 75.32 109.66 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.751 HD11 ' HB ' ' A' ' 60' ' ' THR . 90.9 mt -84.62 -36.44 22.0 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.922 -0.581 . . . . 73.25 110.741 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.66 HE21 HG12 ' A' ' 58' ' ' ILE . 9.1 tt0 -121.06 131.17 54.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 40.32 110.062 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 27.7 t70 . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.786 -0.45 . . . . 74.51 109.786 179.576 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.3 p . . . . . 0 CA--C 1.528 0.125 0 CA-C-O 120.734 0.302 . . . . 72.4 111.646 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.07 -40.93 77.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 73.53 111.195 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.22 -39.3 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.691 -0.231 . . . . 61.32 110.694 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.87 -40.93 94.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 71.33 110.227 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 3' ' ' VAL . 55.5 t -62.59 -48.16 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.071 -0.513 . . . . 73.41 111.177 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.508 ' O ' HG22 ' A' ' 11' ' ' VAL . 84.4 m-20 -69.86 -27.82 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 62.52 110.473 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -67.04 -40.7 87.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.461 -0.57 . . . . 62.34 109.461 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.681 HD22 HG22 ' A' ' 49' ' ' THR . 50.7 tp -57.9 -49.16 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 74.32 110.999 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 8' ' ' ASN . 4.4 m -63.5 -33.39 61.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.889 -0.324 . . . . 64.03 110.458 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.48 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -65.13 -48.87 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.197 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 44.3 mm-40 -61.57 -40.01 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.909 -0.587 . . . . 54.24 110.982 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' LEU . 59.1 mt -68.18 -33.28 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 74.31 110.844 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.47 -41.64 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.837 0.351 . . . . 73.03 111.306 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.48 ' HD3' ' OE1' ' A' ' 12' ' ' GLU . 8.4 mtp-105 -86.9 -49.03 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.621 0.6 . . . . 60.22 112.621 -176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -82.68 -18.01 42.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.58 0.228 . . . . 73.23 111.507 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -81.22 162.37 44.08 Favored Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.88 -0.676 . . . . 70.25 112.866 -175.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.2 t -122.22 154.07 37.99 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.87 -0.789 . . . . 62.04 108.87 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -81.71 130.43 35.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.375 0.607 . . . . 75.1 111.125 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 p30 -87.89 -174.54 4.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.031 -0.986 . . . . 70.4 110.205 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.99 63.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 43.34 111.043 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.32 -14.95 59.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.749 -0.659 . . . . 61.24 110.692 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.58 18.06 34.09 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.884 -0.598 . . . . 71.01 112.907 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.25 166.18 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.876 0.37 . . . . 73.45 111.166 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.57 138.23 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 42.14 111.02 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 m -143.36 143.16 31.55 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.843 -0.617 . . . . 62.13 109.519 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 8.4 p -145.35 137.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.541 0.21 . . . . 64.32 110.556 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -63.05 128.87 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.628 -0.508 . . . . 63.44 109.628 174.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 66.2 t80 -54.94 -38.2 67.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.781 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.87 75.64 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.073 -0.584 . . . . 52.23 112.536 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.42 -47.61 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.051 0.453 . . . . 73.31 110.288 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' HE2' ' A' ' 43' ' ' PHE . 5.7 tt -65.74 -46.35 79.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.667 -0.697 . . . . 71.12 110.152 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HD1' HD13 ' A' ' 46' ' ' LEU . 81.3 t80 -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.52 . . . . 74.2 110.929 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.14 -44.29 96.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.567 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.17 -40.45 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 74.2 109.992 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.57 -49.45 77.74 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 116.135 -0.484 . . . . 64.23 111.049 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 26.9 mmtm -64.36 -13.66 51.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 70.32 111.773 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -87.02 -16.34 35.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.466 -0.334 . . . . 74.22 111.069 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 41' ' ' ASN . . . -120.45 -32.7 4.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.816 0.341 . . . . 71.21 111.804 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.458 ' N ' HD22 ' A' ' 41' ' ' ASN . 0.9 OUTLIER 72.83 56.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.804 0.842 . . . . 70.02 110.094 -176.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -49.49 10.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.06 -0.973 . . . . 63.1 110.602 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HE2' HD21 ' A' ' 33' ' ' LEU . 71.7 m-85 -92.41 125.16 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.886 -0.597 . . . . 72.43 110.948 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -53.48 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.376 -0.972 . . . . 71.15 108.376 174.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.64 84.75 2.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.584 -0.735 . . . . 71.54 110.269 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.45 HD13 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tt -62.42 -45.65 92.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.181 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.92 -42.14 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 55.42 110.824 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.82 -35.71 91.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.833 -0.699 . . . . 75.43 111.674 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.681 HG22 HD22 ' A' ' 10' ' ' LEU . 91.7 m -66.44 -39.03 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 73.33 110.748 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 30' ' ' PHE . 92.5 mt -57.62 -48.64 78.86 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.084 -0.507 . . . . 63.04 110.592 176.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 2.3 mptm? -62.31 -43.96 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 61.34 110.907 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.99 79.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 72.31 111.641 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.44 -26.15 59.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.22 -0.445 . . . . 71.14 111.388 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -75.85 -33.06 60.0 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.878 -0.416 . . . . 72.44 109.878 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 92.8 mtt-85 -69.93 -29.91 67.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.343 -0.389 . . . . 65.54 110.543 175.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.634 ' HB2' HG12 ' A' ' 58' ' ' ILE . 94.7 mtt180 -84.56 -5.07 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 74.55 110.695 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.1 mttt 60.12 33.26 21.17 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.451 0.643 . . . . 73.23 110.466 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.634 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.4 mm -78.37 -45.52 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-N 115.182 -0.917 . . . . 73.41 108.914 175.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.76 163.19 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.264 -0.88 . . . . 43.02 110.405 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.4 t -139.27 147.64 41.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.121 0.486 . . . . 74.22 110.425 176.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.465 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 7.0 p90 -160.48 136.36 6.08 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.366 -0.834 . . . . 74.03 109.238 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 14.5 Cg_exo . . . . . 0 N--CA 1.464 -0.25 0 C-N-CA 122.991 2.461 . . . . 63.33 112.203 179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.681 ' O ' HG12 ' A' ' 74' ' ' VAL . 2.3 p-80 . . . . . 0 C--O 1.224 -0.255 0 N-CA-C 111.753 0.279 . . . . 74.33 111.753 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -68.34 -38.88 81.92 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.962 -0.461 . . . . 70.44 111.615 -171.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -103.66 9.36 37.3 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.839 -0.344 . . . . 75.5 110.941 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 71' ' ' HIS . 8.3 p -74.04 119.44 21.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 119.578 -0.849 . . . . 74.43 109.444 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.55 118.34 21.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.578 -0.737 . . . . 71.33 111.014 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.5 mm -85.74 108.07 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.031 -1.1 . . . . 75.13 108.031 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.79 128.91 45.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.162 -0.472 . . . . 75.03 110.951 -174.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.5 tp -81.83 110.43 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.622 -0.51 . . . . 61.3 109.622 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.644 HD11 ' HB ' ' A' ' 60' ' ' THR . 87.6 mt -87.56 -32.24 19.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 63.03 110.59 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -128.71 132.85 48.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.819 -0.628 . . . . 72.1 110.064 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 . . . . . 0 C--N 1.321 -0.669 0 N-CA-C 108.661 -0.866 . . . . 74.42 108.661 171.116 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.9 p . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 112.302 0.482 . . . . 61.2 112.302 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -39.69 91.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.874 0.369 . . . . 64.11 111.921 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -79.77 -29.34 40.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.845 0.355 . . . . 54.31 110.907 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -67.51 -28.95 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 72.51 110.108 177.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.6 t -57.41 -42.47 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.311 -0.404 . . . . 62.13 110.297 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 4.9 t30 -61.58 -41.53 97.54 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.663 -0.495 . . . . 65.32 109.663 176.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.17 -42.62 98.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.644 -0.707 . . . . 55.0 110.234 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.529 HD22 HG22 ' A' ' 49' ' ' THR . 57.0 tp -56.52 -47.02 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 72.4 110.032 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 7' ' ' VAL . 78.9 t -57.74 -42.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 73.42 111.223 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 41.1 mt-10 -61.5 -46.5 89.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.327 -0.397 . . . . 63.3 110.718 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.81 -36.9 85.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 71.33 111.068 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.1 mt -62.88 -33.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.983 0.42 . . . . 63.45 110.641 176.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-70 -64.03 -42.78 96.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.422 -0.354 . . . . 71.23 111.574 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HE ' ' HB3' ' A' ' 16' ' ' ARG . 2.1 ptp180 -86.12 -37.24 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.352 0.501 . . . . 63.41 112.352 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 16' ' ' ARG . 53.9 mt -94.22 -3.56 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 73.22 111.259 -175.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.69 174.68 15.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.505 -0.855 . . . . 42.54 113.188 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -137.61 157.68 45.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.772 0.429 . . . . 62.42 110.062 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -76.38 135.08 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 53.35 111.211 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -88.82 -171.27 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 74.13 110.541 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.17 -16.96 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.4 0.518 . . . . 71.11 112.4 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 27.4 t70 -90.58 -14.3 32.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.559 0.695 . . . . 43.12 110.314 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.2 63.46 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.584 -0.734 . . . . 74.41 112.083 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 54.6 mttp -84.8 158.38 20.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.36 -0.607 . . . . 71.3 109.36 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 15' ' ' HIS . 98.9 mt -84.75 144.53 28.44 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.853 0.359 . . . . 73.22 110.362 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 18.0 m -139.39 141.86 37.54 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.226 -0.657 . . . . 72.21 109.226 173.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.3 138.78 49.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.288 -0.415 . . . . 62.41 110.241 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.663 ' HB2' HG22 ' A' ' 32' ' ' VAL . 47.1 mmtm -65.82 136.79 56.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.754 -0.462 . . . . 74.34 109.754 176.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -61.6 -39.13 90.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.649 -0.705 . . . . 72.14 109.718 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -48.54 85.58 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.307 -0.861 . . . . 71.23 113.93 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 29' ' ' LYS . 33.7 m -68.8 -32.22 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 117.391 0.595 . . . . 75.43 111.311 -176.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 tt -73.61 -46.42 47.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.738 -0.468 . . . . 72.22 109.738 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.31 -36.33 83.33 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.151 0.5 . . . . 73.02 110.057 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -53.16 -51.24 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.739 . . . . 61.42 111.16 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.87 -38.58 76.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 74.41 110.288 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.44 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.533 . . . . 71.4 111.284 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -63.58 -31.99 73.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.954 0.406 . . . . 54.44 110.648 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.4 t -87.51 -45.5 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.123 -0.489 . . . . 43.22 111.352 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -27.95 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.329 0.492 . . . . 74.2 112.329 -174.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 m120 56.59 66.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.205 0.526 . . . . 73.2 109.87 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.8 mt -80.43 -37.0 32.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.544 -0.753 . . . . 71.44 109.579 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -115.36 107.6 15.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.11 -0.95 . . . . 72.33 109.375 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.85 -29.91 65.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.205 0.526 . . . . 61.31 109.906 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.96 83.99 2.13 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.641 -0.709 . . . . 73.52 109.366 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.62 -46.79 83.67 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.412 -0.588 . . . . 75.33 109.412 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.707 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 46.5 t -56.22 -50.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.5 -0.773 . . . . 72.14 110.383 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.78 -38.07 93.39 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.054 -0.593 . . . . 71.11 112.511 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.529 HG22 HD22 ' A' ' 10' ' ' LEU . 18.9 m -65.16 -38.7 91.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.09 0.472 . . . . 63.22 110.461 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.96 -46.31 85.22 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 72.42 110.544 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 26.4 mmmt -59.78 -43.47 94.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 63.43 110.054 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.94 -53.46 57.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.855 -0.611 . . . . 62.32 111.477 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.756 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.75 -35.48 77.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 72.12 111.173 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.4 tttt -62.56 -43.25 99.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 70.14 110.385 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 49.5 mtp180 -73.6 -27.28 61.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 75.42 111.078 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.65 ' HB3' HG12 ' A' ' 58' ' ' ILE . 35.8 ttt180 -90.6 14.84 12.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.715 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER 51.89 25.56 3.12 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.983 0.913 . . . . 74.15 111.966 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.756 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 42.3 mm -76.67 -42.91 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.221 -0.659 . . . . 74.15 109.221 176.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 78' ' ' LEU . 28.2 m -137.63 170.25 17.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.028 -0.987 . . . . 43.03 109.745 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.496 ' HB ' HD11 ' A' ' 79' ' ' LEU . 7.3 t -148.89 152.45 36.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 74.03 109.939 174.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.3 p90 -161.77 135.85 5.02 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.207 -0.664 . . . . 62.43 109.207 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 34.8 Cg_exo . . . . . 0 C--O 1.236 0.4 0 C-N-CA 122.751 2.3 . . . . 72.12 111.799 178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 7.0 m170 . . . . . 0 N--CA 1.461 0.121 0 CA-C-O 121.16 0.505 . . . . 74.14 109.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.88 -38.48 56.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.092 -0.958 . . . . 72.01 112.1 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -87.1 5.66 36.57 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.931 0.345 . . . . 72.44 111.931 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.7 t -84.7 133.05 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 54.11 110.631 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.6 m-20 -83.9 119.42 24.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.534 -0.757 . . . . 73.12 109.935 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.2 mm -85.58 113.89 24.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.498 -0.927 . . . . 74.11 108.498 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -92.55 124.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.139 -0.482 . . . . 71.22 111.407 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.4 tp -80.2 111.11 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.416 -0.811 . . . . 74.44 109.423 176.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.576 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 96.7 mt -82.73 -42.34 18.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 71.3 110.464 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 45.3 mt-30 -112.86 130.79 55.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 64.43 110.294 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t0 . . . . . 0 C--N 1.319 -0.723 0 CA-C-N 115.978 -0.555 . . . . 72.33 109.962 177.813 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.7 p . . . . . 0 CA--C 1.53 0.178 0 N-CA-C 111.855 0.317 . . . . 74.44 111.855 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.38 -35.11 78.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.285 0.564 . . . . 73.24 109.946 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.1 -35.47 56.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.676 -0.693 . . . . 73.54 110.405 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.33 -30.02 70.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.782 -0.19 . . . . 73.21 111.041 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 3' ' ' VAL . 92.3 t -61.83 -40.33 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 42.54 110.32 174.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HA ' HG22 ' A' ' 11' ' ' VAL . 65.6 m-20 -70.78 -29.37 65.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.107 0.48 . . . . 74.42 110.076 178.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 67.7 tp -71.33 -40.93 70.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.604 -0.517 . . . . 74.31 109.604 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 14' ' ' ILE . 53.4 tp -57.53 -52.26 66.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.76 -0.655 . . . . 74.42 110.637 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 8' ' ' ASN . 29.3 m -63.56 -30.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 54.33 111.219 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -48.03 74.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 74.24 109.85 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 4.6 mm-40 -65.85 -36.94 84.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.766 -0.652 . . . . 64.23 110.824 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 10' ' ' LEU . 70.5 mt -66.14 -32.2 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 73.43 110.422 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.72 -42.49 86.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.125 -0.23 . . . . 74.24 111.536 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.658 ' HG3' HD12 ' A' ' 17' ' ' LEU . 27.5 ptt85 -86.72 -39.43 16.01 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.442 0.534 . . . . 74.04 112.442 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' HG3' ' A' ' 16' ' ' ARG . 10.0 mp -86.1 -18.61 31.9 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.859 0.361 . . . . 61.43 111.269 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.03 137.39 31.69 Favored Glycine 0 N--CA 1.44 -1.083 0 CA-C-N 115.838 -0.619 . . . . 44.24 113.075 -174.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -99.26 155.61 17.41 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.806 -0.813 . . . . 60.23 108.806 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -76.7 123.39 26.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.477 0.656 . . . . 75.44 110.827 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -73.67 178.11 4.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.717 -1.129 . . . . 75.22 109.449 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.25 61.37 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.375 0.607 . . . . 72.05 110.229 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 21.9 t70 -93.47 -14.9 26.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.397 -0.819 . . . . 64.53 111.199 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 4.06 60.72 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.195 -1.002 . . . . 60.32 111.689 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 58.5 mttp -83.64 150.36 25.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.978 -0.379 . . . . 74.24 109.978 175.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.68 131.36 34.59 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.474 -0.565 . . . . 74.11 109.474 175.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -142.1 142.34 32.78 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.149 -0.478 . . . . 74.54 109.933 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.98 136.29 53.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.492 -0.322 . . . . 72.31 110.362 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 2.0 ttmm -73.24 139.78 46.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.505 -0.316 . . . . 70.15 110.629 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 72.1 t80 -56.92 -39.83 75.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 75.12 111.279 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.446 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -63.64 -41.27 99.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.805 -0.712 . . . . 71.04 112.431 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.87 -43.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.103 0.478 . . . . 64.42 110.246 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.86 -45.95 73.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 73.11 109.93 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.83 -42.16 97.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 64.21 111.433 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -66.45 -39.87 89.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.865 0.364 . . . . 63.01 110.786 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.95 -43.61 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.542 -0.54 . . . . 72.22 109.542 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.45 -53.46 47.96 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.894 -0.593 . . . . 61.11 111.24 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -56.87 -25.96 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.026 0.38 . . . . 75.12 112.026 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -66.76 -27.77 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 72.02 111.297 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.91 -22.21 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.106 0.479 . . . . 72.14 111.53 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.484 HD22 ' HA ' ' A' ' 41' ' ' ASN . 2.0 t-20 52.9 75.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.621 -1.172 . . . . 73.11 109.92 -167.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -81.26 -42.41 20.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.441 -1.254 . . . . 74.4 109.435 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -90.12 115.34 27.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.189 -0.914 . . . . 70.41 109.662 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.4 -31.02 69.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.365 0.602 . . . . 63.42 109.798 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.93 83.82 2.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.656 -0.702 . . . . 53.53 109.606 172.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 58.9 tp -53.94 -48.46 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 73.4 111.678 -174.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 47.1 t -62.81 -39.48 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 62.03 110.568 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.45 -42.81 95.64 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.008 -0.542 . . . . 50.03 112.222 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD22 ' A' ' 10' ' ' LEU . 7.1 m -61.42 -41.09 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.428 . . . . 41.44 110.602 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 95.7 mt -61.97 -45.77 92.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.879 -0.6 . . . . 61.13 110.636 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 70.4 mmtt -58.19 -46.23 86.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.962 -0.563 . . . . 74.21 110.893 178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.65 88.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.12 111.667 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.51 -27.12 60.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.557 -0.292 . . . . 63.41 111.423 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.2 tttt -73.53 -34.29 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.591 -0.522 . . . . 75.14 109.591 176.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -68.43 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 73.1 110.91 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.18 6.77 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.374 -0.375 . . . . 75.01 111.325 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 9.8 mptt 59.59 26.29 15.3 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.099 0.56 . . . . 61.31 111.215 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.832 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.5 mt -80.75 -47.43 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 70.1 109.888 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.439 HG13 HG22 ' A' ' 58' ' ' ILE . 33.3 m -135.59 157.33 39.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.899 -0.591 . . . . 53.41 110.275 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -138.09 147.93 44.51 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.074 0.464 . . . . 64.02 109.788 172.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.703 ' HB3' HG13 ' A' ' 76' ' ' ILE . 20.8 p90 -142.6 136.17 14.33 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.643 -0.708 . . . . 75.31 109.656 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 36.2 Cg_exo . . . . . 0 N--CA 1.461 -0.383 0 C-N-CA 122.63 2.22 . . . . 65.04 111.502 175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 9.0 t-80 . . . . . 0 CA--C 1.532 0.251 0 CA-C-O 120.852 0.358 . . . . 72.1 110.409 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.446 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 4.2 t70 -63.83 -39.3 93.91 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.876 0.695 . . . . 64.54 112.876 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.564 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 p-10 -93.29 9.24 37.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.726 0.298 . . . . 74.0 111.759 -174.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.64 124.57 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.824 0.345 . . . . 75.41 110.375 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.8 m-20 -90.83 136.05 33.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 74.22 111.308 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.703 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mp -96.45 120.37 45.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.691 -0.855 . . . . 55.04 108.691 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.09 132.34 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 74.44 111.325 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.43 115.89 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.852 -0.613 . . . . 73.43 110.159 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.5 -42.53 8.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.086 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.832 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 8.4 tt0 -122.07 131.67 54.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.422 -0.808 . . . . 74.35 109.223 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 . . . . . 0 C--N 1.32 -0.677 0 CA-C-O 121.129 0.49 . . . . 71.05 110.307 -178.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.4 p . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.885 0.374 . . . . 72.31 110.905 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.7 -41.07 94.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.16 0.505 . . . . 73.45 110.804 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.2 -32.97 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.187 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.36 -35.69 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.168 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 53' ' ' ALA . 61.2 t -62.3 -48.71 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.439 177.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' VAL . 75.3 m-20 -67.66 -35.68 79.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.039 -0.528 . . . . 53.31 110.277 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.4 tp -61.47 -40.78 95.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.871 -0.418 . . . . 64.02 109.871 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.57 HD22 HG22 ' A' ' 49' ' ' THR . 57.2 tp -56.72 -41.34 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.646 -0.706 . . . . 72.13 110.8 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.56 -33.16 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.98 0.419 . . . . 75.32 110.25 -179.575 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -72.45 -38.81 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 72.34 110.131 177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.8 mm-40 -61.86 -47.51 84.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 74.11 110.898 178.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.435 HG22 ' HB3' ' A' ' 26' ' ' LEU . 72.0 mt -62.27 -33.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.037 0.446 . . . . 61.12 110.6 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.404 -0.362 . . . . 70.52 111.939 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 31.5 ptt85 -87.31 -41.23 13.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.977 -0.289 . . . . 63.43 111.753 -176.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 4.3 tp -90.88 -25.05 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 74.42 111.358 -173.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.04 -175.7 43.85 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.765 -0.731 . . . . 74.35 111.997 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 t -128.92 155.82 44.7 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.019 -0.363 . . . . 43.11 110.019 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -77.28 137.53 38.85 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.48 0.657 . . . . 71.42 109.871 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -88.77 165.45 14.69 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.372 -1.285 . . . . 61.14 109.965 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.42 -14.19 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.849 0.833 . . . . 75.42 108.936 167.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -17.92 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.117 -1.402 . . . . 65.32 110.86 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.14 -1.81 65.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.636 -0.792 . . . . 73.54 113.518 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -112.11 168.02 9.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.459 0.63 . . . . 72.3 110.555 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.435 ' HB3' HG22 ' A' ' 14' ' ' ILE . 3.6 mm? -85.27 140.99 30.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.44 111.029 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -144.54 147.08 32.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.96 -0.564 . . . . 41.02 110.474 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -145.72 145.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.972 -0.558 . . . . 70.4 109.844 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.62 ' HB2' HG23 ' A' ' 32' ' ' VAL . 72.5 mmtt -71.67 144.29 49.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.482 . . . . 75.24 110.758 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -41.06 98.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.188 -0.914 . . . . 73.41 109.964 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -34.16 87.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 54.05 112.493 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 29' ' ' LYS . 99.6 t -72.37 -49.82 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.313 . . . . 75.24 110.77 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.75 -45.67 92.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.979 -0.555 . . . . 64.25 109.799 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.77 -32.67 74.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.619 -0.719 . . . . 75.52 110.861 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -66.25 -45.54 80.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 44.52 111.484 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -36.89 73.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.769 -0.373 . . . . 74.15 110.346 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.98 -38.07 89.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.299 -0.409 . . . . 54.22 110.52 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 38' ' ' LYS . 22.6 mmmt -64.89 -16.18 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.845 0.355 . . . . 74.03 111.395 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -87.65 -47.33 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.286 -0.416 . . . . 44.34 110.98 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.29 -15.62 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.866 0.691 . . . . 61.44 112.866 -172.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m120 57.04 64.47 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.605 0.717 . . . . 61.32 109.847 -173.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD13 ' OE2' ' A' ' 13' ' ' GLU . 31.0 mt -81.47 -48.04 12.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.859 -1.064 . . . . 74.53 110.759 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HZ ' ' HG3' ' A' ' 13' ' ' GLU . 57.9 m-85 -100.05 134.16 43.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.584 -0.735 . . . . 74.31 110.095 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.22 -42.79 71.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 65.52 110.106 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.43 92.97 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.558 -0.746 . . . . 70.21 109.552 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.24 -41.01 87.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 74.15 111.728 -173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.29 -45.37 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.681 0.277 . . . . 54.01 110.485 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.06 94.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.015 -0.612 . . . . 72.45 112.295 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.57 HG22 HD22 ' A' ' 10' ' ' LEU . 34.9 m -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.338 . . . . 74.21 110.588 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.51 -49.38 77.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.521 . . . . 71.53 110.571 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -60.71 -40.34 91.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.14 -0.936 . . . . 75.44 111.473 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.29 73.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.194 0.521 . . . . 70.41 110.703 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.72 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -67.2 -31.43 71.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.574 -0.739 . . . . 54.34 111.131 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 86.0 tttt -62.97 -46.11 89.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.717 0.294 . . . . 73.4 110.619 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.86 -24.36 59.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 72.15 111.444 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.541 ' HB3' HG12 ' A' ' 58' ' ' ILE . 65.9 ttt180 -85.42 4.67 34.41 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.885 0.374 . . . . 65.05 110.448 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 58.59 30.58 20.03 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.93 -0.577 . . . . 73.33 111.642 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.72 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 42.4 mm -82.23 -50.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.352 -0.61 . . . . 61.41 109.352 174.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.1 m -134.5 171.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.334 -0.848 . . . . 70.34 110.024 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.703 ' HB ' HD11 ' A' ' 79' ' ' LEU . 6.6 t -142.6 147.53 35.98 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.105 0.479 . . . . 75.14 110.032 174.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -162.0 149.7 11.89 Favored Pre-proline 0 C--N 1.317 -0.807 0 N-CA-C 107.976 -1.12 . . . . 75.12 107.976 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo . . . . . 0 C--O 1.234 0.307 0 C-N-CA 121.955 1.77 . . . . 73.32 111.921 -176.679 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.518 ' HA ' ' CG2' ' A' ' 74' ' ' VAL . 2.5 p-80 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.704 0.287 . . . . 65.52 110.967 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -36.16 75.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.004 0.372 . . . . 71.41 112.004 -170.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -93.61 8.96 38.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 75.1 110.81 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.518 ' CG2' ' HA ' ' A' ' 71' ' ' HIS . 58.7 t -74.72 123.41 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 74.32 110.589 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.69 114.87 27.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.868 -0.606 . . . . 64.23 109.755 175.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.7 mp -85.85 121.86 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.187 -0.672 . . . . 63.31 109.187 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -103.1 130.01 53.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.062 -0.517 . . . . 63.32 111.52 -172.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.6 tp -80.28 112.61 17.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.819 . . . . 62.33 109.286 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.703 HD11 ' HB ' ' A' ' 60' ' ' THR . 82.6 mt -85.1 -35.98 21.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 71.41 110.861 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 7.5 tt0 -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.003 -0.544 . . . . 73.04 109.723 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 t0 . . . . . 0 C--N 1.321 -0.673 0 CA-C-O 121.321 0.581 . . . . 74.32 110.335 179.702 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.4 p . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 112.029 0.381 . . . . 54.2 112.029 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.43 -37.29 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.098 0.475 . . . . 71.14 110.993 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -75.36 -33.94 61.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 74.42 110.119 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -72.73 -33.47 66.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 73.31 111.478 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.9 t -66.3 -48.16 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.704 0.287 . . . . 45.33 110.577 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -59.39 -41.03 88.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.872 0.368 . . . . 63.54 110.48 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 42' ' ' LEU . 56.7 tp -58.17 -46.85 85.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.77 . . . . 73.13 110.033 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.469 HD21 HD23 ' A' ' 50' ' ' LEU . 56.2 tp -56.51 -47.0 80.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 74.21 110.607 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 7' ' ' VAL . 74.6 t -56.03 -45.84 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.626 . . . . 64.05 111.436 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mm-40 -67.77 -38.6 83.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.224 -0.443 . . . . 62.44 111.505 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 63.8 mm-40 -63.62 -41.11 98.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 73.34 110.231 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 81.5 mt -63.59 -33.96 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 72.32 110.284 176.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.653 ' HA ' HD13 ' A' ' 26' ' ' LEU . 44.5 m170 -60.11 -46.49 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 70.25 111.354 178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' NH1' HD13 ' A' ' 17' ' ' LEU . 6.3 ppt_? -87.2 -27.22 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.489 0.551 . . . . 74.52 112.489 -172.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.516 HD13 ' NH1' ' A' ' 16' ' ' ARG . 6.4 tp -104.49 -2.79 24.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.012 0.375 . . . . 61.04 112.012 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.88 164.43 14.42 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.347 -0.93 . . . . 73.15 113.484 -174.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.0 t -121.61 155.85 34.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.79 -0.818 . . . . 61.11 108.79 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -84.46 136.1 33.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.423 0.63 . . . . 75.35 112.2 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.695 HD21 ' HB3' ' A' ' 27' ' ' SER . 41.0 m-80 -75.9 -179.19 4.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.695 -1.139 . . . . 73.1 110.4 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.53 -16.85 62.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.22 0.533 . . . . 53.21 110.11 174.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -78.73 -16.94 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.625 -0.716 . . . . 73.23 109.803 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 -1.67 70.18 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.733 -0.667 . . . . 74.33 112.488 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 57.1 mttp -92.1 150.75 20.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.589 0.233 . . . . 63.33 110.511 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 15' ' ' HIS . 60.0 mt -77.74 142.58 38.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.38 0.61 . . . . 75.41 111.601 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.695 ' HB3' HD21 ' A' ' 21' ' ' ASN . 6.5 p -135.31 143.28 46.1 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 73.42 110.342 176.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG11 HG12 ' A' ' 14' ' ' ILE . 14.8 p -128.11 144.75 36.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.655 -0.498 . . . . 75.3 109.655 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 32' ' ' VAL . 27.2 mmmt -77.51 149.59 34.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.254 0.55 . . . . 72.43 110.803 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -67.13 -40.81 86.87 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.105 -0.952 . . . . 73.44 110.47 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -46.66 89.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.891 -0.671 . . . . 34.44 112.91 -176.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 29' ' ' LYS . 13.7 p -66.96 -39.87 84.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 72.23 110.794 -177.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.36 -46.08 67.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.17 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.3 -37.5 83.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 72.45 110.633 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -70.21 -46.06 65.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.866 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.28 -41.24 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.721 -172.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.02 -35.79 81.41 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.882 -0.327 . . . . 72.43 111.232 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.24 -18.75 17.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.581 0.586 . . . . 72.11 112.581 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -87.61 -21.0 25.6 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.085 0.402 . . . . 72.43 112.085 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.63 -28.6 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.143 -0.348 . . . . 60.4 111.804 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 57.71 55.26 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.505 0.669 . . . . 75.54 110.745 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.678 ' HB3' HD21 ' A' ' 9' ' ' LEU . 86.9 mt -80.57 -39.65 27.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.231 -0.895 . . . . 60.55 109.016 178.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -105.23 97.28 7.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.049 -0.978 . . . . 73.55 109.624 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.06 -29.83 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.389 0.614 . . . . 75.13 110.314 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 85.17 2.16 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.453 -0.794 . . . . 62.4 109.241 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 56.7 tp -55.72 -42.57 75.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.875 -0.602 . . . . 75.22 111.321 -175.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.61 -37.02 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.46 . . . . 74.2 110.233 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -47.5 61.68 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.82 -0.627 . . . . 74.22 112.033 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -61.67 -39.43 91.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.664 0.269 . . . . 75.45 110.62 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 HD21 ' A' ' 10' ' ' LEU . 85.0 mt -61.42 -48.08 82.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 65.23 110.579 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -39.16 92.34 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.387 -0.369 . . . . 62.25 111.113 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.05 -52.99 61.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.193 0.52 . . . . 63.53 110.917 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -72.91 -31.67 64.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.657 -0.701 . . . . 55.21 111.167 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 82.9 tttt -65.44 -40.7 93.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.017 0.437 . . . . 72.11 110.129 177.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -73.54 -22.66 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 75.22 111.455 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -91.01 2.17 56.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.433 -0.349 . . . . 72.44 110.873 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 62.16 27.54 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.647 -0.706 . . . . 73.35 110.856 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.6 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.6 mt -86.87 -37.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.197 -0.911 . . . . 71.32 109.715 178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 26.3 m -135.09 167.99 24.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.809 -0.632 . . . . 73.14 109.626 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.474 ' HB ' HD11 ' A' ' 79' ' ' LEU . 1.9 t -156.93 152.85 27.22 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.84 -0.43 . . . . 70.23 109.84 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 26.0 p90 -158.01 146.06 13.94 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 109.005 -0.739 . . . . 63.14 109.005 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.894 ' HD2' HG13 ' A' ' 74' ' ' VAL . 26.7 Cg_exo . . . . . 0 N--CA 1.462 -0.374 0 C-N-CA 122.267 1.978 . . . . 71.5 111.792 -179.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 . . . . . 0 C--O 1.225 -0.222 0 N-CA-C 111.991 0.367 . . . . 74.52 111.991 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -32.12 7.4 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.836 0.454 . . . . 72.03 111.355 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 33.3 t70 -85.54 0.51 52.23 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.036 -0.529 . . . . 73.31 111.608 -176.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.894 HG13 ' HD2' ' A' ' 62' ' ' PRO . 38.5 t -74.61 121.14 25.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.416 -0.587 . . . . 60.43 109.416 174.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 3.0 m-20 -89.22 120.65 30.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.644 -0.707 . . . . 71.02 110.461 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.5 mp -86.1 108.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.341 -0.985 . . . . 65.4 108.341 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' A' ' 27' ' ' SER . 61.5 mt -95.38 127.99 46.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.621 -0.718 . . . . 65.05 110.826 -172.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.6 tp -80.45 110.54 16.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.507 -0.77 . . . . 64.15 109.511 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 86.2 mt -87.62 -33.73 18.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.857 -0.61 . . . . 63.31 110.666 -176.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.6 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 24.1 tt0 -131.23 132.3 44.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.022 -0.536 . . . . 72.53 110.403 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 . . . . . 0 C--N 1.319 -0.727 0 N-CA-C 109.605 -0.517 . . . . 74.23 109.605 176.077 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.2 p . . . . . 0 N--CA 1.455 -0.18 0 N-CA-C 112.745 0.646 . . . . 61.33 112.745 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.56 -42.28 82.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 73.13 111.194 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -79.84 -29.63 40.16 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.765 -0.374 . . . . 74.22 110.606 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -71.19 -29.02 64.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 75.43 110.585 -178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 3' ' ' VAL . 81.5 t -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.763 -0.458 . . . . 54.21 109.763 172.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.0 m-20 -61.92 -36.56 81.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.948 0.404 . . . . 52.22 110.234 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 63.0 tp -64.6 -42.3 95.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 73.21 109.536 175.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.579 HD21 HD23 ' A' ' 50' ' ' LEU . 56.9 tp -56.73 -49.7 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.433 -0.803 . . . . 75.35 110.681 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 7' ' ' VAL . 2.9 m -67.43 -30.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.552 -0.295 . . . . 65.41 110.537 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -66.3 -45.13 81.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.875 0.369 . . . . 74.14 110.017 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 19.9 mm-40 -60.98 -39.61 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 54.53 109.887 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 68.3 mt -66.19 -33.87 66.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.239 -0.437 . . . . 64.44 110.742 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.571 ' HA ' HD13 ' A' ' 26' ' ' LEU . 64.9 m170 -55.03 -48.5 73.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.927 0.394 . . . . 74.35 110.632 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -87.38 -45.41 10.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 74.44 112.129 -174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.0 mt -79.86 -29.74 40.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.629 0.252 . . . . 73.22 111.43 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.76 162.07 31.24 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.572 -0.823 . . . . 63.41 112.425 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -118.37 155.72 30.2 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.932 -0.395 . . . . 63.44 109.932 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.51 124.75 29.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 62.44 110.257 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -78.53 175.02 10.73 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.109 -0.95 . . . . 73.32 109.441 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -9.28 39.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.534 0.683 . . . . 73.41 110.015 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.22 -0.02 50.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.925 -1.034 . . . . 75.24 109.817 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.95 24.93 75.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.647 -0.706 . . . . 71.44 112.849 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -135.25 151.16 50.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.735 -0.273 . . . . 73.31 111.013 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 15' ' ' HIS . 82.7 mt -76.57 136.5 39.26 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.755 -0.657 . . . . 74.24 110.913 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -143.86 147.35 33.93 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.315 -0.402 . . . . 71.4 110.473 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.41 136.79 14.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 62.3 109.078 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 39.9 mtmt -70.69 143.32 51.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.129 0.49 . . . . 73.11 111.22 -177.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 7.9 t80 -56.16 -41.6 75.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 71.21 110.286 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.86 -31.44 72.01 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.15 -0.548 . . . . 61.02 113.304 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.56 -51.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 64.42 110.609 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.64 -41.78 92.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.903 -0.59 . . . . 73.5 110.225 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.13 -38.12 73.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.025 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -61.28 -50.36 73.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.749 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.58 -41.86 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.402 . . . . 65.34 110.369 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.849 -0.614 . . . . 62.32 111.628 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HA ' ' HE3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.9 -19.78 63.4 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.845 -0.342 . . . . 74.12 111.643 -178.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -88.06 -47.22 8.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.495 -0.321 . . . . 73.25 110.672 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -22.52 23.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 63.31 112.322 -173.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.477 HD22 ' HA ' ' A' ' 41' ' ' ASN . 3.5 m120 60.0 62.33 1.67 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.642 0.734 . . . . 54.12 110.34 -172.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.28 -48.05 13.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.003 . . . . 75.54 109.759 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 10' ' ' LEU . 34.6 m-85 -114.55 103.52 11.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 55.42 109.271 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -52.74 -44.31 66.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.968 -0.56 . . . . 75.1 110.53 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.31 84.52 2.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 45.15 109.584 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.49 -42.0 77.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.759 -0.655 . . . . 74.21 111.227 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.4 p -61.35 -40.5 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.721 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.03 -42.98 94.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.919 -0.657 . . . . 72.22 112.279 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.49 HG22 HD22 ' A' ' 10' ' ' LEU . 8.8 m -61.3 -39.62 91.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.034 0.445 . . . . 72.55 110.499 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 10' ' ' LEU . 95.0 mt -67.78 -43.03 80.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.002 -0.545 . . . . 70.33 110.822 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 13.9 mmmm -58.06 -45.67 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 73.43 110.778 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -52.2 66.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.718 -0.674 . . . . 74.43 110.834 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -68.35 -36.44 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.065 -0.516 . . . . 31.15 111.54 -176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 83.8 tttt -63.71 -46.46 85.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 75.51 110.525 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -78.27 -19.23 54.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.789 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HD3' HD11 ' A' ' 58' ' ' ILE . 27.1 ttt180 -85.07 -0.09 53.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.322 -0.622 . . . . 72.41 109.322 172.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.52 28.05 15.2 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.727 -1.124 . . . . 72.51 111.843 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.719 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 87.1 mt -86.27 -41.12 14.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.247 -0.888 . . . . 74.42 109.902 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.0 m -131.57 167.37 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.14 -0.482 . . . . 63.3 110.141 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.404 ' HB ' HD11 ' A' ' 79' ' ' LEU . 12.1 t -150.02 152.64 35.19 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.308 -0.627 . . . . 70.35 109.308 174.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -157.75 150.54 18.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.02 -0.536 . . . . 64.12 109.691 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HG2' HG13 ' A' ' 74' ' ' VAL . 19.3 Cg_endo . . . . . 0 C--O 1.234 0.279 0 C-N-CA 122.378 2.052 . . . . 63.31 111.923 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.444 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 1.4 p-80 . . . . . 0 CA--C 1.534 0.33 0 N-CA-C 112.533 0.568 . . . . 73.24 112.533 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.421 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 19.8 t70 -71.94 -31.06 65.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.715 -0.394 . . . . 70.22 111.174 -176.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.2 9.09 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.835 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.409 HG23 ' HA ' ' A' ' 71' ' ' HIS . 20.9 t -90.45 115.34 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.032 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -96.65 118.35 32.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.072 -0.714 . . . . 70.41 109.072 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.12 108.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.839 -0.8 . . . . 73.4 108.839 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.5 mt -100.01 124.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.554 -0.748 . . . . 63.34 111.191 -171.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.02 116.97 20.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 74.31 110.131 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.404 HD11 ' HB ' ' A' ' 60' ' ' THR . 94.3 mt -93.71 -40.06 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.199 0.523 . . . . 74.25 110.431 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.719 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -123.35 131.47 53.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.634 -0.712 . . . . 75.35 109.498 -178.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 39.7 t0 . . . . . 0 C--N 1.318 -0.791 0 N-CA-C 109.439 -0.578 . . . . 73.14 109.439 -178.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 7' ' ' VAL . 13.5 p . . . . . 0 CA--C 1.535 0.387 0 N-CA-C 113.13 0.789 . . . . 73.21 113.13 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.04 -37.07 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 74.44 110.982 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -79.79 -32.88 40.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.397 -0.365 . . . . 74.31 110.759 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -58.22 -45.19 88.1 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.679 -0.489 . . . . 75.44 109.679 178.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.8 t -62.97 -43.82 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 115.671 -0.695 . . . . 73.13 111.557 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.516 ' O ' HG22 ' A' ' 11' ' ' VAL . 87.2 m-20 -67.82 -32.71 73.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 72.11 110.353 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.11 -36.82 85.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.662 -0.496 . . . . 74.44 109.662 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.692 HD22 HG22 ' A' ' 49' ' ' THR . 57.7 tp -58.42 -45.84 87.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 71.13 110.57 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.57 -33.82 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.034 -0.358 . . . . 70.12 110.034 -179.187 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 1.9 mm-40 -65.33 -38.98 91.78 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.348 -0.387 . . . . 65.03 110.961 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -66.02 -43.62 87.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.514 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 78' ' ' LEU . 64.9 mt -62.67 -34.05 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 72.42 110.395 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 63.8 m170 -57.39 -52.23 66.19 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.439 -0.346 . . . . 44.03 111.138 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -86.96 -44.15 11.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 74.25 112.618 -171.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -87.71 -12.51 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.662 0.245 . . . . 74.12 111.662 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.46 167.5 32.61 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.593 -0.813 . . . . 74.41 112.965 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -125.12 159.1 32.26 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.377 -0.601 . . . . 64.14 109.377 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.25 127.9 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.784 0.802 . . . . 51.54 111.207 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.07 169.75 12.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.243 -1.344 . . . . 72.31 108.938 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.57 64.96 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.605 0.594 . . . . 72.2 112.605 -172.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.82 5.73 38.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.953 0.353 . . . . 72.12 111.953 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.97 61.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.323 -0.941 . . . . 61.04 111.222 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -94.15 164.56 13.01 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.335 -0.617 . . . . 74.24 109.335 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.13 120.8 41.36 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.652 -0.499 . . . . 73.24 109.652 176.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.514 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 29.0 t -124.97 143.49 50.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.797 0.332 . . . . 75.12 111.066 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -147.08 140.37 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.849 -0.614 . . . . 42.33 110.195 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 37.4 mtmt -70.52 148.27 48.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.194 0.521 . . . . 73.42 111.407 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.97 -40.41 89.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.354 -0.839 . . . . 73.23 111.2 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.412 ' H ' ' HA ' ' A' ' 72' ' ' ASP . . . -62.72 -44.5 97.41 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.076 -0.583 . . . . 54.31 112.754 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.29 -43.75 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 71.13 110.434 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.486 HD21 ' HE2' ' A' ' 43' ' ' PHE . 4.7 tt -64.49 -45.8 85.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.714 -0.675 . . . . 73.35 109.845 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.64 -42.53 88.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 70.45 110.363 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -48.38 75.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.702 . . . . 55.05 111.696 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.92 -44.81 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.84 -0.344 . . . . 71.32 110.85 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.36 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 74.42 111.422 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmpm? -75.21 -19.12 59.96 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.746 -0.596 . . . . 74.22 110.921 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -88.5 -46.75 8.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.17 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.34 -21.74 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.128 0.418 . . . . 73.04 112.128 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 56.7 68.51 0.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.558 0.694 . . . . 71.53 109.515 -170.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.5 -48.09 12.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.1 -0.955 . . . . 74.54 110.507 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.486 ' HE2' HD21 ' A' ' 33' ' ' LEU . 66.8 m-85 -98.11 122.0 40.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.602 -0.726 . . . . 72.31 110.444 -176.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.87 -33.57 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.094 -0.706 . . . . 74.32 109.094 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.63 84.27 2.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.38 -0.827 . . . . 64.23 109.683 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.26 -56.97 15.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.986 -0.552 . . . . 64.3 111.57 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.19 -33.58 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.835 -0.346 . . . . 75.42 110.591 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.94 99.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.619 -0.801 . . . . 74.44 111.728 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.692 HG22 HD22 ' A' ' 10' ' ' LEU . 62.8 m -59.66 -43.19 94.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 74.22 110.546 176.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.15 -50.1 67.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 60.03 110.757 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -61.0 -36.76 80.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.745 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.53 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 52.32 111.099 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.0 -35.26 78.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.728 -0.669 . . . . 75.44 111.861 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.6 tttt -64.77 -44.87 88.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.833 0.349 . . . . 60.22 110.417 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -71.58 -24.23 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.027 0.441 . . . . 63.24 110.846 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HB2' HG12 ' A' ' 58' ' ' ILE . 69.5 mtt180 -84.44 -1.54 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 64.42 110.934 176.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 57.92 28.89 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.359 0.599 . . . . 74.21 111.169 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.635 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 36.0 mm -74.85 -43.74 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 108.014 -1.106 . . . . 41.31 108.014 172.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.8 m -137.21 166.32 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.323 -1.308 . . . . 74.35 109.018 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.502 ' HB ' HD11 ' A' ' 79' ' ' LEU . 10.3 t -144.64 149.19 35.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.887 0.375 . . . . 64.3 110.232 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.513 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -157.98 144.09 12.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 74.34 109.116 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 32.5 Cg_exo . . . . . 0 C--O 1.237 0.437 0 C-N-CA 122.422 2.081 . . . . 64.44 111.457 178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 109.886 -0.413 . . . . 74.41 109.886 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.471 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 8.6 t70 -65.14 -21.44 66.79 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.878 -0.601 . . . . 63.55 111.386 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.89 4.6 28.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.825 0.821 . . . . 73.52 110.292 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 62' ' ' PRO . 88.9 t -112.39 125.6 69.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 73.1 110.665 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 5.3 m-20 -91.48 136.41 33.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.849 -0.614 . . . . 42.23 110.782 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.513 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.2 mp -97.17 121.31 47.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.679 -0.859 . . . . 71.54 108.679 175.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.48 130.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.962 0.411 . . . . 72.25 111.411 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.502 ' HB2' HG21 ' A' ' 14' ' ' ILE . 38.2 tp -80.3 128.1 33.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 74.31 109.946 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.502 HD11 ' HB ' ' A' ' 60' ' ' THR . 71.1 mt -106.79 -41.33 5.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.983 -0.553 . . . . 64.41 110.779 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.587 ' NE2' HD13 ' A' ' 58' ' ' ILE . 44.5 mt-30 -111.44 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.964 -0.562 . . . . 74.14 110.557 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 C--N 1.321 -0.649 0 N-CA-C 109.454 -0.572 . . . . 73.12 109.454 175.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.614 ' HA ' ' OE1' ' A' ' 6' ' ' GLU . 8.6 p . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 113.031 0.752 . . . . 75.42 113.031 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -59.49 -26.93 65.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.526 -0.306 . . . . 71.32 111.324 178.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -79.39 -35.82 40.12 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.592 -0.521 . . . . 64.51 109.592 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.614 ' OE1' ' HA ' ' A' ' 3' ' ' VAL . 3.9 mp0 -72.47 -38.17 68.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.364 -0.834 . . . . 73.31 110.317 178.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 3' ' ' VAL . 88.5 t -62.38 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.119 174.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.12 -33.73 76.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.874 -0.603 . . . . 73.23 110.141 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.5 tp -68.81 -43.11 76.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.218 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.482 HD22 HG22 ' A' ' 49' ' ' THR . 59.7 tp -56.26 -44.14 79.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.979 -0.555 . . . . 74.21 109.997 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.87 -36.94 75.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.282 -0.872 . . . . 75.41 110.915 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.8 tp10 -64.21 -45.87 86.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.078 0.466 . . . . 54.31 110.725 177.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 3.2 mm-40 -61.91 -35.65 78.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.807 -0.633 . . . . 73.21 110.393 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.531 HG21 ' HB2' ' A' ' 78' ' ' LEU . 63.2 mt -67.3 -32.35 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.832 -0.622 . . . . 71.12 110.309 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -66.93 -37.41 84.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.993 0.425 . . . . 72.02 110.243 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.485 HH21 ' CD ' ' A' ' 13' ' ' GLU . 42.3 mtm105 -81.01 -49.24 11.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 63.31 112.016 -174.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.14 -2.75 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 72.34 111.198 -173.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . -89.13 132.6 11.34 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.647 -0.787 . . . . 52.34 113.069 -175.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -99.17 157.09 16.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.809 -0.811 . . . . 71.12 108.809 175.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -77.03 133.22 39.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.238 1.018 . . . . 62.35 112.421 -174.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -88.72 176.0 7.27 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.51 -1.677 . . . . 64.32 109.785 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.23 74.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.652 0.612 . . . . 53.14 112.652 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.71 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 7.1 m-20 -79.45 -7.98 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.234 . . . . 52.31 111.223 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.49 12.34 56.03 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.74 -0.944 . . . . 72.14 110.74 -171.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.71 ' HG3' ' HB2' ' A' ' 23' ' ' ASP . 16.6 mttp -84.53 168.23 15.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 64.31 109.582 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.18 136.21 41.4 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.657 -0.497 . . . . 74.44 109.657 172.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -138.77 142.02 38.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.88 0.371 . . . . 72.33 110.199 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.53 137.93 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.287 -0.415 . . . . 71.12 110.142 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 75' ' ' ASP . 63.6 mttm -79.14 146.23 33.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.702 -0.226 . . . . 73.43 110.767 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -53.51 -41.92 66.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 43.25 111.442 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -38.1 79.6 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 121.173 -0.537 . . . . 72.51 112.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.17 -43.27 37.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.058 0.456 . . . . 74.41 110.569 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.48 -45.22 80.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.903 -0.589 . . . . 71.22 110.068 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 49.3 t80 -58.35 -39.76 80.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.769 -0.651 . . . . 74.14 110.322 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -53.29 -47.36 69.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.822 -0.626 . . . . 50.42 111.11 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' A' ' 16' ' ' ARG . 0.9 OUTLIER -70.16 -40.25 74.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 73.3 110.353 -174.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.04 -43.41 95.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 73.21 111.098 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 31.0 mmmt -60.95 -14.5 23.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.045 0.387 . . . . 74.44 112.045 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -80.74 -42.07 22.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 72.22 111.163 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.75 -11.33 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.732 0.641 . . . . 74.15 112.732 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 54.01 71.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.849 0.833 . . . . 73.14 109.035 -167.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.38 -41.69 21.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.576 -1.193 . . . . 74.43 110.265 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -108.47 106.44 16.54 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.634 -0.712 . . . . 75.55 110.244 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.36 -40.7 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.163 0.506 . . . . 72.54 109.841 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.89 86.92 2.53 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.086 -0.709 . . . . 74.33 109.086 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 49.5 tp -56.96 -45.72 82.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.877 -0.601 . . . . 74.11 110.766 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.26 -37.25 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 71.42 110.732 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.14 85.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.939 -0.648 . . . . 53.42 112.327 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.482 HG22 HD22 ' A' ' 10' ' ' LEU . 32.4 m -59.39 -41.44 89.37 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.725 0.298 . . . . 72.23 110.674 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD23 HD21 ' A' ' 10' ' ' LEU . 96.3 mt -61.3 -48.31 81.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.303 -0.408 . . . . 72.44 110.497 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 27.4 mmmt -58.73 -41.79 87.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.952 -0.567 . . . . 65.22 111.208 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.22 70.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 74.45 111.18 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.6 -26.99 60.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.889 -0.596 . . . . 74.24 111.119 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 81.5 tttt -67.41 -39.04 85.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.787 -0.449 . . . . 64.03 109.787 177.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.75 -38.35 90.7 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.255 -0.43 . . . . 70.32 110.682 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.54 8.76 18.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.802 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 10.8 mptt 60.85 23.14 13.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.97 0.508 . . . . 74.15 111.487 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.726 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 88.3 mt -79.9 -47.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.976 -0.556 . . . . 75.54 109.813 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 53' ' ' ALA . 30.9 m -129.94 161.44 39.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.96 -0.564 . . . . 72.34 110.066 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.6 t -142.75 148.06 36.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 45.11 110.098 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.637 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -155.03 136.86 9.58 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 108.775 -0.824 . . . . 75.43 108.775 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 37.3 Cg_exo . . . . . 0 C--O 1.236 0.381 0 C-N-CA 122.191 1.928 . . . . 73.0 111.651 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.432 ' HA ' HG23 ' A' ' 74' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.828 0.347 . . . . 64.02 110.859 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.07 -37.98 84.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 72.51 111.199 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.13 8.07 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.968 -0.56 . . . . 54.14 111.278 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 71' ' ' HIS . 76.2 t -79.39 127.9 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 55.55 110.617 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 5.1 m-20 -86.74 130.22 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.48 -0.782 . . . . 72.44 111.036 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.637 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mp -94.45 119.36 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.766 -0.827 . . . . 42.43 108.766 172.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -100.64 128.28 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.084 -0.507 . . . . 74.21 111.059 -174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' ' 14' ' ' ILE . 41.7 tp -81.96 110.95 17.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 74.21 109.835 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.46 -42.19 11.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.278 0.561 . . . . 74.13 110.419 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.726 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 29.3 tt0 -125.83 133.63 51.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.599 -0.728 . . . . 72.3 109.991 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.317 -0.839 0 N-CA-C 109.46 -0.571 . . . . 61.41 109.46 179.578 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p . . . . . 0 CA--C 1.535 0.392 0 N-CA-C 112.522 0.564 . . . . 71.12 112.522 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -61.41 -41.35 97.02 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.836 0.35 . . . . 62.43 110.743 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -64.66 -42.82 95.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 73.25 110.141 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.22 -34.43 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 74.33 110.22 -178.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 3' ' ' VAL . 61.6 t -68.28 -39.15 80.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.32 175.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -31.49 72.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.038 0.447 . . . . 65.12 110.149 174.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.9 tp -69.69 -44.51 70.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.881 -0.599 . . . . 73.45 109.536 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.55 HD22 HG22 ' A' ' 49' ' ' THR . 55.3 tp -56.57 -52.47 64.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.527 -0.761 . . . . 64.21 110.81 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.3 -30.57 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 75.43 111.271 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 31.8 tt0 -70.92 -45.35 64.4 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.667 0.27 . . . . 63.4 110.457 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' A' ' 13' ' ' GLU . 30.7 mm-40 -63.51 -34.51 77.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.667 0.27 . . . . 74.34 110.753 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 10' ' ' LEU . 92.4 mt -63.92 -33.56 62.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 74.14 110.418 175.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 2.4 m-70 -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.38 . . . . 73.21 111.272 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -84.39 -48.35 9.75 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.188 0.44 . . . . 71.54 112.188 -176.234 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.33 -18.6 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.741 0.305 . . . . 74.24 111.402 -174.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.81 162.01 33.86 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.576 -0.821 . . . . 53.31 113.016 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -126.36 159.17 33.95 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.576 -0.898 . . . . 75.21 108.576 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -75.33 127.09 32.37 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 122.135 0.969 . . . . 73.43 111.253 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -86.12 172.48 10.54 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.614 -1.63 . . . . 71.35 109.565 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.4 -25.61 68.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.178 -0.464 . . . . 75.31 111.494 -175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.6 -11.42 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.179 -0.464 . . . . 64.31 111.358 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.96 2.53 71.5 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 110.474 -1.05 . . . . 73.25 110.474 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -84.88 145.83 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.645 -0.777 . . . . 64.54 110.068 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.78 128.89 33.98 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.451 -0.574 . . . . 74.22 109.451 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -136.97 143.03 42.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.855 0.359 . . . . 54.52 110.74 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.86 138.27 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.859 -0.609 . . . . 74.52 110.177 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.68 142.14 38.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 74.21 111.296 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -69.59 -26.7 64.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 72.54 110.78 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.41 -48.09 81.68 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.704 -0.76 . . . . 62.41 112.102 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.11 -41.21 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.724 0.297 . . . . 64.14 110.911 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 75.53 110.159 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -66.87 -35.21 79.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.72 0.295 . . . . 61.32 110.291 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -61.0 -47.89 84.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 75.53 110.467 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.61 -48.75 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 64.13 110.993 178.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -31.26 71.44 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 116.534 -0.303 . . . . 73.54 111.074 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 44.5 tptt -58.83 -28.65 66.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.967 0.413 . . . . 74.21 111.116 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 m -87.44 -16.9 33.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.125 -0.489 . . . . 74.14 111.906 -177.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.23 -33.64 3.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.645 0.609 . . . . 52.41 112.645 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.9 m120 55.73 63.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.359 0.664 . . . . 74.33 110.464 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -80.53 -45.35 17.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.532 -0.758 . . . . 75.43 109.815 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 46' ' ' LEU . 64.0 m-85 -88.03 109.16 19.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.427 -0.806 . . . . 73.22 110.31 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.75 -53.3 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.356 -0.609 . . . . 71.33 109.356 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.34 84.81 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.693 -0.685 . . . . 52.13 109.822 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 43' ' ' PHE . 39.1 tp -58.2 -42.52 86.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 64.41 110.891 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.25 -32.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.159 -0.473 . . . . 71.13 110.299 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.73 -44.61 62.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.119 -0.562 . . . . 51.23 112.106 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.55 HG22 HD22 ' A' ' 10' ' ' LEU . 10.2 m -59.5 -43.71 93.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 74.41 110.722 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.38 -44.3 97.4 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.235 -0.438 . . . . 74.34 110.465 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 4.7 tptp -59.29 -45.89 90.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.02 -0.536 . . . . 52.12 110.737 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.819 -0.628 . . . . 74.23 111.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.839 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -75.24 -27.08 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.587 -0.733 . . . . 74.43 111.698 -176.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.33 -35.84 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.7 -0.4 . . . . 62.33 110.042 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 30.1 mmt180 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.061 0.458 . . . . 74.31 110.388 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.64 ' HB2' HG12 ' A' ' 58' ' ' ILE . 65.3 mtt180 -88.11 -1.19 57.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 73.24 111.586 -178.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 57' ' ' LYS . 33.0 mmtp 56.04 33.97 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.398 0.618 . . . . 71.25 111.041 -175.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.839 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 24.8 mm -72.18 -42.42 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 108.041 -1.096 . . . . 65.31 108.041 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' A' ' 53' ' ' ALA . 28.8 m -135.63 171.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.494 -1.23 . . . . 74.45 109.156 177.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.9 t -152.09 150.89 30.42 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.72 -0.474 . . . . 40.4 109.72 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.546 ' HB3' HG13 ' A' ' 76' ' ' ILE . 27.5 p90 -157.55 148.16 16.11 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.097 -0.705 . . . . 64.33 109.097 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HD2' HG13 ' A' ' 74' ' ' VAL . 52.9 Cg_exo . . . . . 0 C--O 1.234 0.301 0 C-N-CA 122.245 1.963 . . . . 74.1 111.878 178.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.494 ' HA ' HG23 ' A' ' 74' ' ' VAL . 0.7 OUTLIER . . . . . 0 CA--C 1.534 0.344 0 N-CA-C 113.241 0.83 . . . . 64.22 113.241 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.76 -34.59 71.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.914 -0.492 . . . . 74.52 111.773 -171.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -98.44 9.43 43.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.309 0.576 . . . . 72.11 110.819 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.494 HG23 ' HA ' ' A' ' 71' ' ' HIS . 44.9 t -74.18 114.54 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.196 -0.456 . . . . 71.44 109.799 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.7 119.73 31.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.93 0.395 . . . . 75.13 110.812 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.4 mp -86.51 117.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.929 -0.767 . . . . 63.11 108.929 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.4 mt -96.24 126.17 48.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.054 -0.521 . . . . 72.3 110.947 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 14' ' ' ILE . 37.9 tp -79.94 110.35 15.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.91 -0.586 . . . . 72.55 109.587 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 89.8 mt -88.73 -42.4 11.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.007 0.432 . . . . 74.44 110.376 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -107.05 130.46 54.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.53 -0.915 . . . . 73.21 108.53 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t0 . . . . . 0 C--N 1.317 -0.817 0 CA-C-O 121.327 0.584 . . . . 64.44 110.429 -176.572 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.7 tpp . . . . . 0 N--CA 1.479 0.978 0 N-CA-C 109.764 -0.458 . . . . 72.31 109.764 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -87.98 116.63 26.29 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.287 -1.005 . . . . 75.32 108.287 170.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.533 ' O ' HG23 ' A' ' 7' ' ' VAL . 9.1 p -52.8 -23.88 5.97 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.408 0 O-C-N 123.623 0.577 . . . . 74.3 112.157 -172.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -57.59 -34.05 68.84 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.044 -0.526 . . . . 45.53 111.212 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.1 t60 -82.45 -36.5 26.53 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-O 121.704 0.764 . . . . 63.51 109.311 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.78 -37.8 83.13 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 114.246 -1.343 . . . . 72.13 111.343 -177.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 3' ' ' VAL . 97.3 t -56.15 -47.31 80.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.022 -0.536 . . . . 53.52 110.943 176.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.503 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 95.4 m-20 -73.05 -30.99 64.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.427 -0.351 . . . . 62.55 110.953 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 55.0 tp -62.67 -43.71 98.12 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.485 -0.561 . . . . 73.32 109.485 173.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.583 HD22 HG22 ' A' ' 49' ' ' THR . 50.2 tp -57.28 -50.97 71.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.15 -0.932 . . . . 71.41 111.023 179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 8' ' ' ASN . 22.7 m -64.78 -29.85 48.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.478 -0.328 . . . . 75.32 111.609 -176.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 35.6 mt-10 -69.77 -48.11 60.48 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 110.054 -0.35 . . . . 72.5 110.054 175.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 5.5 mm-40 -60.47 -40.5 91.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 74.34 110.776 178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' LEU . 87.9 mt -63.46 -33.11 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.13 -0.487 . . . . 70.24 110.593 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.46 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -64.76 -34.75 79.06 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.663 -0.244 . . . . 72.43 111.241 178.352 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.96 -45.48 10.75 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.205 0.446 . . . . 72.34 112.205 178.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.2 mt -81.53 -23.75 37.07 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.011 0.374 . . . . 71.31 112.011 -175.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.567 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -82.15 151.54 30.16 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 121.084 -0.579 . . . . 64.35 113.215 -173.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.5 m -121.85 153.17 38.74 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.056 -0.72 . . . . 44.13 109.056 177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -77.57 131.1 37.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.275 0.559 . . . . 74.41 111.855 -174.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -88.88 -173.86 4.26 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.362 -0.835 . . . . 65.13 109.552 175.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.06 -28.39 67.74 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.405 0.521 . . . . 53.53 112.405 -175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -79.32 -1.67 37.91 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.214 0.53 . . . . 73.11 110.977 -178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.06 -1.14 87.76 Favored Glycine 0 C--O 1.228 -0.242 0 C-N-CA 121.117 -0.563 . . . . 70.42 112.925 176.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 78' ' ' LEU . 61.7 mttp -98.36 153.37 18.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.84 0.353 . . . . 70.05 110.874 -178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD13 ' HA ' ' A' ' 15' ' ' HIS . 95.1 mt -72.86 135.69 45.2 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.294 0.569 . . . . 45.44 110.996 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 13.8 m -143.67 142.12 30.85 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.658 -0.701 . . . . 75.12 109.804 177.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.567 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 7.2 p -133.33 136.65 54.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 109.969 -0.382 . . . . 51.24 109.969 178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.69 141.1 51.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.76 0.314 . . . . 64.35 110.787 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -51.89 -41.07 61.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.562 -0.745 . . . . 75.54 111.305 -178.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.415 ' HA3' ' HB2' ' A' ' 72' ' ' ASP . . . -61.62 -34.16 87.53 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.993 -0.622 . . . . 72.21 112.722 -178.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.8 t -72.18 -47.29 54.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.932 0.396 . . . . 71.13 110.464 -178.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.01 -43.96 81.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.987 -0.551 . . . . 74.51 109.761 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.466 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 50.9 t80 -61.22 -37.88 84.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.061 -0.518 . . . . 74.43 110.479 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -56.47 -48.02 77.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 73.33 110.77 177.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -67.63 -41.21 84.26 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.989 -0.55 . . . . 75.24 110.845 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.85 -32.36 73.83 Favored 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 116.347 -0.388 . . . . 74.14 111.223 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 29.7 mmmt -64.0 -21.0 66.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 121.983 -0.448 . . . . 71.44 111.534 178.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.0 m -87.83 -48.25 7.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.738 0.304 . . . . 62.22 111.351 179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.91 -26.45 13.74 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.365 0.506 . . . . 60.21 112.365 -172.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 27.7 m120 54.25 68.22 0.89 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.773 0.797 . . . . 74.1 110.172 -172.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 71.3 mt -81.03 -40.36 24.36 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.633 -1.167 . . . . 73.0 109.727 -178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -108.23 100.0 9.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.032 -0.986 . . . . 73.44 109.378 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -58.52 -30.59 67.18 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.107 0.479 . . . . 72.23 110.423 -179.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.14 84.56 2.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.711 -0.677 . . . . 73.31 109.601 172.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.0 tp -64.66 -44.68 89.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 72.5 110.993 -175.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 56.9 t -60.39 -45.81 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 70.44 110.416 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.92 -35.99 92.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.069 -0.586 . . . . 72.13 112.798 178.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.583 HG22 HD22 ' A' ' 10' ' ' LEU . 27.6 m -67.42 -42.18 83.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.989 0.423 . . . . 52.31 110.205 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 94.1 mt -61.02 -44.89 96.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.954 -0.566 . . . . 60.44 110.527 176.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -58.35 -46.28 86.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.856 -0.611 . . . . 73.13 111.088 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.1 -46.45 79.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.02 -0.536 . . . . 73.52 111.257 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.69 -27.03 58.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.128 -0.487 . . . . 52.2 111.25 -177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 85.2 tttt -73.89 -32.24 63.5 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.893 -0.41 . . . . 60.42 109.893 177.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 3.0 mmp_? -73.39 -29.9 62.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 63.12 110.862 176.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 49.3 mtt180 -84.58 0.92 48.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 75.04 110.858 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.468 ' HB2' ' HE2' ' A' ' 57' ' ' LYS . 2.1 mppt? 58.29 30.22 19.2 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 115.879 -0.6 . . . . 65.51 110.575 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.599 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 77.6 mt -83.97 -40.61 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.606 -0.725 . . . . 73.13 109.452 177.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.8 m -132.71 155.98 41.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.715 -0.675 . . . . 63.15 109.982 176.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.547 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.6 t -134.42 147.69 50.5 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 109.608 -0.516 . . . . 75.5 109.608 173.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 22.7 p90 -157.37 136.08 7.82 Favored Pre-proline 0 C--N 1.316 -0.854 0 CA-C-N 115.857 -0.611 . . . . 70.11 109.419 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.766 ' HD2' HG13 ' A' ' 74' ' ' VAL . 35.0 Cg_exo -58.75 139.01 88.94 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.357 2.038 . . . . 52.25 111.736 176.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 114.48 145.19 8.81 Favored Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 120.398 -0.906 . . . . 35.23 112.377 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.7 mp0 -105.01 -55.9 2.25 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.682 -0.488 . . . . 75.12 109.682 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.0 mt -134.29 155.23 50.58 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.906 -0.588 . . . . 55.34 109.914 176.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.1 pp -155.03 150.47 27.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.262 -0.274 . . . . 73.54 110.262 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 96.2 mt -128.55 -41.6 1.51 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.199 0.523 . . . . 75.13 110.3 178.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.4 mp0 -95.55 160.51 14.48 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.622 -0.717 . . . . 72.23 110.12 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -79.13 40.32 2.13 Favored Glycine 0 C--O 1.228 -0.265 0 C-N-CA 121.312 -0.47 . . . . 75.45 112.75 -178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 31.6 m -88.02 -11.01 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.421 0.629 . . . . 70.44 110.142 177.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 49.7 m80 -100.65 15.25 28.79 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.36 -0.836 . . . . 75.31 110.099 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.415 ' HB2' ' HA3' ' A' ' 31' ' ' GLY . 13.1 p-10 -67.85 -21.85 65.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.064 -0.516 . . . . 74.32 111.682 -174.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -86.88 -4.07 59.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.223 0.535 . . . . 51.52 110.983 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.766 HG13 ' HD2' ' A' ' 62' ' ' PRO . 51.3 t -73.96 119.31 20.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.915 -0.584 . . . . 54.34 110.614 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -83.51 124.71 31.01 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.745 -0.661 . . . . 75.13 110.449 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 27' ' ' SER . 7.7 mm -85.22 108.46 17.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 108.283 -1.006 . . . . 73.23 108.283 175.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.5 mt -92.42 126.69 44.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.323 -0.399 . . . . 73.51 111.167 -173.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.465 ' O ' ' HD3' ' A' ' 25' ' ' LYS . 34.9 tp -80.26 110.16 15.42 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.539 -0.541 . . . . 65.11 109.539 177.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.547 HD11 ' HB ' ' A' ' 60' ' ' THR . 85.7 mt -88.87 -43.48 11.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.215 0.531 . . . . 70.23 110.233 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.599 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 9.9 tt0 -114.09 131.92 56.22 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.544 -0.753 . . . . 73.14 109.358 -177.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -118.74 117.71 29.65 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.453 0.644 . . . . 51.52 111.608 -176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.629 ' H ' HD23 ' A' ' 82' ' ' LEU . 2.4 pt? -121.71 3.66 10.08 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.094 -0.957 . . . . 62.44 109.368 174.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.64 ' O ' ' HB2' ' A' ' 84' ' ' HIS . 0.4 OUTLIER -99.51 93.79 6.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.546 -0.752 . . . . 55.31 110.76 -172.523 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.64 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.1 OUTLIER 150.73 139.47 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 O-C-N 124.893 1.371 . . . . 73.02 110.077 166.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 89.3 m-70 . . . . . 0 C--N 1.318 -0.764 0 CA-C-O 118.544 -0.741 . . . . 74.54 109.455 176.328 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttp . . . . . 0 N--CA 1.482 1.165 0 CA-C-O 120.567 0.222 . . . . 73.51 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.571 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 67.0 t30 -72.99 137.21 45.3 Favored 'General case' 0 CA--C 1.518 -0.266 0 N-CA-C 109.979 -0.378 . . . . 51.04 109.979 -179.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.4 p -56.03 -33.03 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.816 -0.629 . . . . 73.53 112.372 -172.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.83 -39.86 86.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.003 0.43 . . . . 54.23 110.247 -179.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -79.9 -31.67 40.23 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 74.32 111.022 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 6.9 mm-40 -64.18 -42.81 96.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.272 -0.422 . . . . 64.21 110.101 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 3' ' ' VAL . 67.0 t -61.18 -44.06 97.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.197 -0.456 . . . . 70.44 111.184 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.545 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 34.2 m-20 -61.64 -43.04 99.6 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 109.437 -0.579 . . . . 64.13 109.437 177.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.702 HD21 ' HB3' ' A' ' 42' ' ' LEU . 60.0 tp -63.41 -35.39 80.27 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.883 -0.598 . . . . 61.12 109.858 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.693 HD22 HG22 ' A' ' 49' ' ' THR . 44.6 tp -60.69 -52.25 65.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.876 -0.602 . . . . 65.13 110.139 176.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 8' ' ' ASN . 30.8 m -67.27 -29.81 47.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 CA-C-N 116.472 -0.331 . . . . 54.54 110.959 -178.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.575 ' HB3' HH21 ' A' ' 16' ' ' ARG . 42.5 mt-10 -61.93 -50.49 71.93 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.105 0.479 . . . . 64.02 110.567 174.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -66.69 -40.81 88.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.55 . . . . 60.51 110.924 -179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 10' ' ' LEU . 93.0 mt -60.26 -33.59 54.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.986 0.422 . . . . 70.24 110.717 178.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HA ' HD13 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -63.78 -52.8 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 72.41 111.535 177.423 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.575 HH21 ' HB3' ' A' ' 12' ' ' GLU . 25.3 mtm-85 -88.21 -25.69 22.76 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.573 0.953 . . . . 73.31 113.573 -171.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 10.8 mp -97.25 -16.54 20.31 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 122.217 -0.302 . . . . 71.33 111.1 178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -97.63 163.56 21.68 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.844 -0.693 . . . . 52.54 112.891 -174.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.1 t -125.4 155.53 40.23 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.55 -0.537 . . . . 62.45 109.55 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -85.94 133.73 33.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.153 0.501 . . . . 72.54 111.273 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 27.9 p30 -87.04 -175.18 5.25 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.524 -0.762 . . . . 72.11 110.823 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.62 -26.49 67.05 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.14 -0.482 . . . . 52.21 111.679 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.456 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t70 -79.17 -16.81 56.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.972 0.415 . . . . 73.22 110.628 -179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.24 4.01 59.93 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.98 -0.629 . . . . 73.05 112.293 -178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HG3' ' OD1' ' A' ' 23' ' ' ASP . 61.6 mttp -91.93 149.25 21.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.622 0.249 . . . . 71.3 110.401 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 15' ' ' HIS . 74.2 mt -77.26 144.48 38.16 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.292 -0.413 . . . . 71.23 110.528 176.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -143.22 141.8 31.2 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.583 -0.525 . . . . 74.11 109.583 174.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.92 137.28 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.723 -0.473 . . . . 75.01 109.723 179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -74.29 129.07 37.1 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.991 0.424 . . . . 70.01 110.791 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 85.2 t80 -55.8 -41.5 74.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.276 -0.875 . . . . 74.54 111.766 -175.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.27 -39.8 93.05 Favored Glycine 0 C--N 1.33 0.2 0 C-N-CA 120.862 -0.685 . . . . 73.43 112.514 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.5 t -71.06 -49.99 45.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.645 0.259 . . . . 74.53 110.403 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -62.36 -46.24 89.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.204 -0.453 . . . . 73.34 110.692 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -62.56 -47.99 81.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.341 -0.391 . . . . 74.53 110.817 -178.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 32.9 ttm105 -67.55 -35.16 78.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.108 -0.497 . . . . 65.53 110.589 -177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.04 -50.16 51.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.095 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -58.77 -44.95 90.77 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.879 -0.6 . . . . 73.1 111.564 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.946 ' HE3' ' HA ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -66.73 -19.37 65.74 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 120.58 -0.448 . . . . 71.51 111.475 -178.735 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 27.8 m -88.19 -34.75 17.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.002 0.43 . . . . 71.24 111.13 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.16 -30.46 14.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.181 0.437 . . . . 64.3 112.181 -176.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.62 60.22 0.47 Allowed 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 123.566 0.746 . . . . 44.11 110.109 -173.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.702 ' HB3' HD21 ' A' ' 9' ' ' LEU . 79.1 mt -81.87 -49.19 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.944 -1.025 . . . . 74.14 110.303 -178.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -100.8 126.16 47.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.655 -0.702 . . . . 75.13 110.29 -177.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -71.65 -34.08 69.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.698 0.761 . . . . 74.33 109.132 176.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.26 84.23 2.16 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.296 -0.866 . . . . 74.35 109.983 176.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.24 -48.4 81.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.069 -0.514 . . . . 53.12 110.921 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.1 t -60.96 -44.25 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.061 -0.518 . . . . 75.53 110.632 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.36 96.9 Favored Glycine 0 C--N 1.332 0.31 0 C-N-CA 120.966 -0.635 . . . . 53.52 112.166 177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.693 HG22 HD22 ' A' ' 10' ' ' LEU . 32.0 m -63.26 -45.75 90.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.076 0.465 . . . . 75.22 110.522 178.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.57 -46.02 91.77 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.681 -0.69 . . . . 70.12 111.032 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.54 -44.02 95.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.323 -0.399 . . . . 72.55 111.721 -179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' ' HG3' ' A' ' 56' ' ' ARG . . . -55.5 -52.12 64.73 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.923 -0.58 . . . . 73.53 111.042 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.662 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -72.33 -33.14 67.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.913 -0.585 . . . . 62.23 111.456 -176.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -66.6 -38.53 87.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.956 0.408 . . . . 74.45 110.43 178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.442 ' HD3' ' HA ' ' A' ' 55' ' ' ARG . 19.3 mmt180 -76.16 -21.3 56.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.421 -0.354 . . . . 72.3 111.612 179.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.777 ' HB2' HG12 ' A' ' 58' ' ' ILE . 99.8 mtt180 -88.22 -0.01 56.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.573 0.225 . . . . 75.42 110.861 176.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? 58.76 30.41 19.98 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.234 0.54 . . . . 61.23 110.756 -173.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.777 HG12 ' HB2' ' A' ' 56' ' ' ARG . 33.9 mm -76.66 -45.1 33.24 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 108.47 -0.937 . . . . 73.41 108.47 173.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.5 m -135.71 166.74 26.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.036 -0.983 . . . . 63.43 109.792 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.436 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.8 t -145.52 148.2 32.95 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.224 -0.444 . . . . 60.33 110.323 176.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -162.2 133.5 3.83 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 115.558 -0.746 . . . . 75.04 109.899 176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -77.34 140.61 19.6 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.668 2.245 . . . . 65.55 112.157 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.95 76.71 0.59 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.807 -0.711 . . . . 75.41 112.482 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -84.76 -15.48 44.88 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.221 0.534 . . . . 63.24 110.198 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 57.0 tp -88.47 81.59 7.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.701 -0.681 . . . . 74.11 109.518 174.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.5 pp -108.64 173.05 6.49 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.676 -0.693 . . . . 61.14 110.702 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.404 HD23 ' O ' ' A' ' 67' ' ' LEU . 5.7 tt -138.58 -35.24 0.6 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.97 0.414 . . . . 61.43 110.291 -177.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -132.27 -174.28 3.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.965 0.412 . . . . 75.41 110.921 -177.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 72' ' ' ASP . . . -82.24 41.08 2.75 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 121.074 -0.584 . . . . 61.33 112.324 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 24.7 t -77.63 -16.72 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 122.041 0.924 . . . . 71.54 109.319 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.483 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 15.4 m-70 -93.34 15.86 14.67 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.156 -0.929 . . . . 63.34 110.603 178.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 69' ' ' GLY . 9.8 t70 -54.94 -39.32 68.74 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.739 -0.664 . . . . 74.2 111.553 -176.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -96.18 -0.98 49.28 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.115 0.483 . . . . 75.01 111.159 -176.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.0 t -75.19 121.93 27.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.074 0.464 . . . . 73.3 110.603 -177.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.6 122.43 27.58 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.453 -0.794 . . . . 71.11 110.898 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 24.5 mm -85.66 112.79 22.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 108.395 -0.965 . . . . 50.31 108.395 173.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.9 mt -92.43 130.8 41.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.073 0.463 . . . . 60.41 111.843 -171.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 24.9 tp -85.45 113.33 21.65 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.354 -0.839 . . . . 74.21 109.928 177.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.436 HD11 ' HB ' ' A' ' 60' ' ' THR . 91.2 mt -86.16 -42.09 14.15 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.375 -0.375 . . . . 61.33 110.41 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -117.68 132.26 56.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.994 -0.548 . . . . 73.42 109.707 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.0 t0 -97.21 109.47 22.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.128 0.489 . . . . 62.11 110.372 -178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -76.67 -51.62 11.17 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.696 -0.683 . . . . 73.4 109.544 179.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -83.74 36.75 0.56 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.58 -0.736 . . . . 73.12 110.348 -173.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -68.63 98.11 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 74.22 111.491 -174.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 67.8 t60 . . . . . 0 C--O 1.243 0.754 0 CA-C-N 115.086 -0.961 . . . . 72.21 108.955 173.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp . . . . . 0 N--CA 1.484 1.27 0 CA-C-O 120.454 0.169 . . . . 63.44 110.555 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.564 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 2.7 m-20 -98.22 106.87 19.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.855 -0.794 . . . . 54.45 108.855 177.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.566 ' O ' HG23 ' A' ' 7' ' ' VAL . 13.3 p -59.94 -32.58 50.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 123.379 0.424 . . . . 74.21 111.483 -171.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -60.08 -44.14 94.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 62.01 110.471 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.1 m-70 -79.62 -27.05 41.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.012 -0.54 . . . . 72.41 111.157 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 43.1 mt-10 -65.64 -29.8 70.42 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.864 -0.421 . . . . 72.15 109.864 176.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.569 HG13 ' HB2' ' A' ' 53' ' ' ALA . 95.8 t -65.32 -42.03 92.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.135 -0.484 . . . . 61.44 110.205 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.404 ' O ' HG22 ' A' ' 11' ' ' VAL . 3.4 t-20 -66.55 -31.87 72.86 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.305 0.574 . . . . 71.43 110.298 177.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.577 HD21 ' HB3' ' A' ' 42' ' ' LEU . 67.2 tp -69.06 -43.55 74.42 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.519 -0.548 . . . . 74.51 109.519 175.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.455 HD22 HG22 ' A' ' 49' ' ' THR . 56.4 tp -56.76 -47.12 80.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.302 -0.863 . . . . 63.43 111.172 178.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.498 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 18.9 m -66.43 -34.16 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.397 -0.365 . . . . 64.53 111.101 -178.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -41.86 98.11 Favored 'General case' 0 N--CA 1.462 0.165 0 N-CA-C 109.77 -0.456 . . . . 74.0 109.77 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 41.9 mm-40 -61.15 -39.9 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.858 -0.61 . . . . 75.32 110.162 176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 10' ' ' LEU . 61.4 mt -68.5 -34.32 64.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.464 -0.335 . . . . 62.03 110.836 178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.745 ' HA ' HD13 ' A' ' 26' ' ' LEU . 20.9 m-70 -60.15 -36.11 76.8 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 121.156 0.503 . . . . 72.43 110.478 175.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.438 HH11 ' HD2' ' A' ' 16' ' ' ARG . 24.6 ttm105 -86.67 -47.42 9.17 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.494 -0.776 . . . . 72.14 111.855 -175.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.4 mt -89.6 -22.81 22.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.267 -0.424 . . . . 71.43 111.775 -172.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.6 164.38 29.11 Favored Glycine 0 N--CA 1.442 -0.908 0 C-N-CA 120.695 -0.764 . . . . 70.23 112.722 -174.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 p -121.83 150.23 42.21 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 109.89 -0.411 . . . . 62.45 109.89 178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -78.07 123.77 27.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.219 0.533 . . . . 62.35 111.051 -178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.9 m-80 -73.06 -172.22 1.03 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.19 -0.914 . . . . 62.12 111.072 177.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.06 -29.2 67.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.84 -0.618 . . . . 75.51 111.903 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -86.82 -13.48 44.9 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.355 0.597 . . . . 74.33 110.955 178.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.7 6.54 59.45 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 120.617 -0.802 . . . . 62.41 112.194 -175.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -83.69 130.06 34.96 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.995 -0.372 . . . . 73.22 109.995 178.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.745 HD13 ' HA ' ' A' ' 15' ' ' HIS . 44.7 mt -75.98 127.15 32.38 Favored 'General case' 0 CA--C 1.508 -0.642 0 CA-C-N 116.066 -0.515 . . . . 74.13 110.793 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 85.4 p -129.66 145.05 51.54 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 116.147 -0.479 . . . . 71.43 110.314 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.9 p -143.88 138.41 24.92 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.607 -0.724 . . . . 73.42 109.561 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.585 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 91.8 mttt -67.65 134.0 50.35 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.097 0.475 . . . . 72.42 110.577 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 50' ' ' LEU . 28.6 t80 -60.0 -26.37 66.0 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.288 -0.869 . . . . 62.44 110.597 -178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.52 -36.61 93.42 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.588 -0.815 . . . . 75.33 112.031 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.9 t -76.45 -47.81 28.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.894 0.378 . . . . 34.34 110.376 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.99 -46.08 89.03 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.749 -0.659 . . . . 65.42 110.286 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.447 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 86.5 t80 -61.25 -43.88 98.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.153 -0.476 . . . . 72.23 110.41 179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.2 ttp180 -59.88 -46.69 88.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.81 -0.632 . . . . 73.14 111.053 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.03 -38.75 82.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.995 -0.548 . . . . 74.23 111.212 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -68.2 -31.15 70.47 Favored 'General case' 0 C--O 1.216 -0.702 0 C-N-CA 120.769 -0.372 . . . . 55.14 110.653 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 26.8 mmmt -56.48 -24.72 47.89 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 122.024 -0.422 . . . . 73.11 111.329 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.9 m -88.48 -22.85 23.44 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.244 0.461 . . . . 42.55 112.244 -178.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.53 -34.6 3.58 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.679 0.622 . . . . 74.23 112.679 -174.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.468 HD22 ' HA ' ' A' ' 41' ' ' ASN . 4.3 m120 48.01 70.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.578 0.704 . . . . 74.52 110.513 -169.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.577 ' HB3' HD21 ' A' ' 9' ' ' LEU . 92.1 mt -80.79 -29.72 36.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.099 -0.955 . . . . 74.03 108.873 177.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.43 ' CD2' HD13 ' A' ' 46' ' ' LEU . 21.6 m-85 -108.0 124.85 50.79 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.605 -1.18 . . . . 75.41 109.196 176.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -70.3 -37.91 74.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.228 0.537 . . . . 72.24 109.568 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -128.43 86.61 2.48 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.596 -0.729 . . . . 73.14 109.561 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.43 HD13 ' CD2' ' A' ' 43' ' ' PHE . 44.5 tp -58.82 -40.44 84.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.865 -0.607 . . . . 54.42 111.519 -175.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 62.5 t -65.94 -31.47 53.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.453 . . . . 55.21 109.95 178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.1 -41.87 52.91 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.799 -0.637 . . . . 73.33 111.926 178.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.455 HG22 HD22 ' A' ' 10' ' ' LEU . 7.0 m -59.32 -38.66 80.85 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.938 0.399 . . . . 62.2 110.465 176.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.512 HD11 ' CE1' ' A' ' 30' ' ' PHE . 90.0 mt -61.49 -41.9 97.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.931 -0.577 . . . . 51.11 110.832 177.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.532 ' HE3' ' HG3' ' A' ' 64' ' ' GLU . 33.7 mmtm -56.2 -48.87 75.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.082 -0.508 . . . . 74.22 110.634 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -50.97 72.07 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.832 -0.622 . . . . 74.43 111.418 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.585 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -71.47 -38.29 71.25 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.828 -0.624 . . . . 72.01 111.648 -175.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.598 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 84.6 tttt -63.14 -42.8 99.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.19 0.519 . . . . 73.4 110.242 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 9.0 mmt85 -77.78 -14.84 59.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.976 -0.556 . . . . 71.32 111.253 -177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.614 ' HB2' HG12 ' A' ' 58' ' ' ILE . 90.4 mtt180 -91.95 4.02 53.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.406 -0.361 . . . . 43.32 110.942 173.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.16 25.04 15.09 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-O 121.117 0.485 . . . . 73.34 111.045 -175.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.614 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.1 mm -78.42 -44.18 26.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 108.973 -0.751 . . . . 62.2 108.973 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.519 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.5 m -136.04 163.66 33.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.294 -0.867 . . . . 73.33 109.797 178.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.529 ' HB ' HD11 ' A' ' 79' ' ' LEU . 11.1 t -142.54 147.99 36.84 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-O 120.846 0.355 . . . . 60.13 110.071 174.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.598 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 14.2 p90 -159.05 145.93 12.81 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.555 -0.535 . . . . 73.13 109.555 178.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HD2' HG13 ' A' ' 74' ' ' VAL . 32.1 Cg_exo -59.3 139.75 91.42 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.877 2.385 . . . . 73.4 112.448 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 76.28 -164.53 53.56 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.866 -0.683 . . . . 74.11 112.148 -178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.532 ' HG3' ' HE3' ' A' ' 51' ' ' LYS . 8.7 tp10 -147.71 -34.5 0.24 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.018 0.437 . . . . 73.32 110.372 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 32.7 tp -109.75 90.93 3.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.13 0.49 . . . . 64.21 110.653 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.417 HD11 HG11 ' A' ' 74' ' ' VAL . 91.0 mt -104.35 85.66 2.4 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.012 -0.54 . . . . 74.22 110.631 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 88.4 mt -105.28 -44.56 4.71 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.105 -0.498 . . . . 75.14 110.877 -178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 75.9 mm-40 -74.41 168.13 20.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.173 -0.467 . . . . 70.54 111.158 -176.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -75.66 14.63 5.47 Favored Glycine 0 CA--C 1.52 0.382 0 CA-C-N 116.038 -0.528 . . . . 61.34 114.057 -171.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.9 p -87.21 -4.28 9.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.922 0.868 . . . . 75.35 109.829 176.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.401 ' CG ' ' HD2' ' A' ' 30' ' ' PHE . 1.4 p-80 -83.47 2.35 37.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.499 -0.773 . . . . 63.44 111.745 -174.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.501 ' O ' ' HB3' ' A' ' 29' ' ' LYS . 8.7 p-10 -71.13 -31.45 67.74 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.219 0.451 . . . . 43.43 112.219 -169.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.585 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 17.6 t70 -94.36 1.85 55.84 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.086 0.469 . . . . 74.5 110.889 -176.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.436 HG13 ' HD2' ' A' ' 62' ' ' PRO . 21.1 t -75.11 114.74 15.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.261 -0.427 . . . . 70.34 110.577 -177.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -80.69 117.75 21.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.62 0.247 . . . . 75.41 110.412 176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.12 108.11 17.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 N-CA-C 107.885 -1.154 . . . . 70.22 107.885 172.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.7 mt -96.02 124.77 48.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.248 0.547 . . . . 75.43 111.444 -173.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 42.1 tp -79.97 111.17 16.05 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.216 -0.902 . . . . 75.2 109.595 177.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.529 HD11 ' HB ' ' A' ' 60' ' ' THR . 78.0 mt -86.46 -38.67 17.07 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.93 -0.577 . . . . 74.32 110.499 -177.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -102.67 131.22 49.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.149 -0.478 . . . . 72.14 109.735 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.594 ' OD2' ' HA ' ' A' ' 84' ' ' HIS . 60.5 t0 -115.25 103.46 10.85 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.94 -0.763 . . . . 73.34 108.94 177.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 66.7 tp -79.62 -57.29 3.75 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.822 -0.627 . . . . 75.34 111.257 -173.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.5 -26.2 41.63 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.495 -0.775 . . . . 65.21 110.908 -174.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.594 ' HA ' ' OD2' ' A' ' 81' ' ' ASP . 91.6 m-70 59.12 76.48 0.35 Allowed 'General case' 0 CA--C 1.518 -0.26 0 CA-C-O 121.383 0.611 . . . . 51.43 110.244 -174.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--O 1.242 0.689 0 CA-C-N 115.053 -0.976 . . . . 62.33 109.606 -173.416 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 73.9 mtm . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.862 0.363 . . . . 72.12 110.989 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.547 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 16.4 m120 -95.86 127.06 41.56 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.223 -1.028 . . . . 32.44 108.223 173.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.608 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.2 p -53.92 -34.45 25.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 N-CA-C 111.62 0.23 . . . . 75.2 111.62 -172.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -59.45 -41.06 88.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.168 0.508 . . . . 72.02 110.659 177.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.403 ' HD2' ' HB3' ' A' ' 8' ' ' ASN . 4.7 t-160 -79.75 -26.64 40.68 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.885 -0.598 . . . . 63.53 110.123 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 5.3 mm-40 -66.81 -29.71 69.72 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.786 -0.45 . . . . 74.11 109.786 176.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 3' ' ' VAL . 46.2 t -64.72 -37.61 80.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.232 0.539 . . . . 71.53 109.792 173.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.493 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -64.35 -37.75 88.62 Favored 'General case' 0 N--CA 1.464 0.27 0 N-CA-C 108.898 -0.778 . . . . 65.35 108.898 174.123 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 6' ' ' GLU . 60.0 tp -63.64 -39.25 93.86 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.73 -0.668 . . . . 74.41 109.558 177.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.687 HD21 HD23 ' A' ' 50' ' ' LEU . 61.0 tp -60.68 -50.64 72.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.389 -0.823 . . . . 74.11 111.122 176.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.481 ' HA ' HD12 ' A' ' 14' ' ' ILE . 16.5 m -66.15 -29.55 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.429 -0.35 . . . . 70.14 111.304 -177.068 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.493 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 46.0 mt-10 -61.97 -43.18 99.37 Favored 'General case' 0 N--CA 1.46 0.073 0 CA-C-O 120.823 0.345 . . . . 62.54 110.217 174.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -68.12 -35.01 77.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.026 -0.534 . . . . 55.44 111.012 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 11' ' ' VAL . 85.8 mt -63.02 -37.02 78.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.312 0.577 . . . . 72.25 109.904 174.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -70.58 -30.41 67.11 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.797 -0.638 . . . . 74.01 111.426 175.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -84.67 -44.5 13.36 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.101 0.408 . . . . 71.5 112.101 -173.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.55 HD12 HD23 ' A' ' 33' ' ' LEU . 96.3 mt -105.06 -2.61 24.17 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.693 0.256 . . . . 73.22 111.693 -175.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.01 -176.82 24.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.513 -0.851 . . . . 44.0 112.89 -177.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.9 m -144.32 156.6 44.32 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.608 -0.515 . . . . 34.03 109.608 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -83.9 135.99 34.27 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.322 0.582 . . . . 72.12 111.41 -178.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.3 p30 -87.93 -176.04 5.33 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.231 -0.895 . . . . 64.14 110.242 177.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.7 -14.34 62.41 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.068 0.396 . . . . 63.31 112.068 -176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -87.65 -13.63 42.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.967 0.413 . . . . 71.13 110.343 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.51 3.79 61.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 121.025 -0.607 . . . . 55.0 111.96 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -96.97 148.44 22.97 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.765 0.317 . . . . 72.04 110.54 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -71.76 146.64 47.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.168 0.509 . . . . 51.2 110.357 175.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.4 m -143.23 142.09 31.29 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 108.875 -0.787 . . . . 64.25 108.875 170.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.478 HG11 HD11 ' A' ' 33' ' ' LEU . 7.1 p -139.87 142.23 32.63 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 N-CA-C 110.15 -0.315 . . . . 63.33 110.15 -177.413 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.609 ' HB2' HG23 ' A' ' 32' ' ' VAL . 74.9 mmtt -72.46 131.02 42.02 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.016 0.436 . . . . 73.33 110.51 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.686 ' HD2' ' HB3' ' A' ' 71' ' ' HIS . 65.5 t80 -59.96 -40.04 87.69 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.23 -0.896 . . . . 71.02 110.333 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.658 ' HA3' ' HA ' ' A' ' 72' ' ' ASP . . . -58.82 -36.22 86.02 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.569 -0.741 . . . . 62.44 112.555 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.609 HG23 ' HB2' ' A' ' 29' ' ' LYS . 58.3 t -71.1 -48.03 57.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.818 -0.438 . . . . 74.42 109.818 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD23 HD12 ' A' ' 17' ' ' LEU . 20.9 mt -62.44 -47.61 83.28 Favored 'General case' 0 C--O 1.223 -0.314 0 CA-C-N 115.604 -0.725 . . . . 75.11 111.272 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -61.87 -40.05 94.04 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.304 -0.407 . . . . 72.24 110.884 -175.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -69.38 -51.71 34.06 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.134 -0.484 . . . . 70.3 111.344 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -68.52 -37.55 80.12 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.795 0.331 . . . . 74.44 110.513 -176.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -63.29 -49.08 75.42 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-N 116.091 -0.504 . . . . 74.33 111.348 176.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 38' ' ' LYS . 34.4 mmtm -69.73 -13.92 62.53 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.615 -0.434 . . . . 73.54 111.248 -178.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.4 t -87.9 -25.19 23.36 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 120.917 0.389 . . . . 63.51 110.911 175.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.32 -30.68 9.0 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 120.916 0.389 . . . . 74.14 111.797 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 11.6 m120 69.94 51.36 0.43 Allowed 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 124.171 0.988 . . . . 52.33 110.892 -178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -82.28 -48.71 10.89 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.249 -0.887 . . . . 74.25 109.902 176.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -118.14 98.24 6.21 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 115.59 -0.732 . . . . 74.1 109.318 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.12 -46.48 75.59 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.505 -0.554 . . . . 73.51 109.505 176.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -108.16 84.1 1.89 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.915 -0.584 . . . . 70.12 110.077 174.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 61.6 tp -64.64 -39.6 93.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.826 -0.625 . . . . 71.12 110.377 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.586 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 51.3 t -63.43 -39.89 86.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.777 -0.647 . . . . 71.11 110.627 -179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -61.03 -48.45 86.14 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.774 -0.727 . . . . 52.22 112.163 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 m -58.72 -38.66 78.82 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.98 0.419 . . . . 65.32 110.876 175.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.687 HD23 HD21 ' A' ' 10' ' ' LEU . 88.5 mt -64.84 -44.52 89.52 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.082 -0.508 . . . . 75.32 111.283 178.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 14.2 mmmm -63.36 -39.48 94.64 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.618 0.247 . . . . 73.13 110.428 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.63 -51.78 66.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.412 0.625 . . . . 62.22 110.509 176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -73.62 -27.7 61.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.457 -0.792 . . . . 64.14 111.607 -177.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.571 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 59.8 tttm -72.3 -34.29 68.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.85 0.357 . . . . 74.14 110.215 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -74.96 -27.45 60.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.225 -0.443 . . . . 73.01 110.459 177.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 89.8 mtt180 -89.11 1.91 54.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.25 -0.432 . . . . 75.31 110.387 176.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt 51.64 37.14 19.15 Favored 'General case' 0 CA--C 1.523 -0.068 0 CA-C-N 115.445 -0.798 . . . . 71.04 111.89 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.555 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 63.0 mt -82.52 -37.26 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 114.792 -1.094 . . . . 63.4 108.412 171.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.5 m -131.41 160.9 42.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.04 -0.982 . . . . 73.52 109.606 175.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.2 t -145.31 147.25 32.12 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 120.957 0.408 . . . . 74.43 110.271 176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 12.9 p90 -160.66 155.65 20.79 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 108.637 -0.875 . . . . 64.11 108.637 177.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.01 139.01 71.08 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.351 2.034 . . . . 64.54 113.221 -175.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.67 -165.04 29.63 Favored Glycine 0 N--CA 1.452 -0.269 0 CA-C-N 115.319 -0.855 . . . . 34.2 113.722 176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -137.97 -23.87 1.02 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.162 0.506 . . . . 74.22 109.879 174.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.3 mt -108.18 75.86 1.01 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.99 -0.55 . . . . 74.32 110.382 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 88.1 mt -67.45 110.7 3.72 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.132 -0.486 . . . . 71.22 110.135 178.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 92.4 mt -86.17 164.63 17.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.298 -0.41 . . . . 72.42 110.739 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.443 ' HA ' ' CE1' ' A' ' 71' ' ' HIS . 25.3 tt0 -62.53 135.67 57.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 63.03 111.412 -176.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.13 -41.64 2.17 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.857 -0.687 . . . . 72.52 112.804 177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.64 ' O ' HG23 ' A' ' 74' ' ' VAL . 34.9 m -97.03 -1.68 10.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 112.337 0.495 . . . . 71.41 112.337 -175.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.686 ' HB3' ' HD2' ' A' ' 30' ' ' PHE . 39.8 m80 -65.35 -44.02 89.02 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 112.009 0.374 . . . . 75.32 112.009 -172.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.658 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 20.9 t70 -60.07 -38.51 83.09 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 113.047 0.758 . . . . 75.12 113.047 -168.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.431 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 23.5 t0 -97.3 6.67 47.97 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.32 -0.552 . . . . 74.54 111.668 -174.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 70' ' ' VAL . 39.8 t -75.24 116.04 17.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.826 0.346 . . . . 50.14 110.271 176.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -83.28 116.39 22.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.04 -0.527 . . . . 63.03 110.708 177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.8 mm -86.26 108.2 17.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.795 0 N-CA-C 107.975 -1.12 . . . . 72.42 107.975 171.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -94.01 128.13 45.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.925 0.393 . . . . 72.33 111.028 -173.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.2 tp -85.3 110.55 19.16 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.813 -0.631 . . . . 64.34 109.963 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 85.8 mt -85.92 -42.39 14.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.252 0.549 . . . . 74.42 110.184 -178.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.555 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 8.0 tt0 -108.7 130.94 55.35 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.391 -0.822 . . . . 70.12 108.983 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -115.4 109.43 17.87 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.131 0.491 . . . . 43.3 110.341 -177.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -95.64 -39.45 9.9 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.551 -0.75 . . . . 74.52 109.659 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.489 ' HG2' ' HG2' ' A' ' 12' ' ' GLU . 11.7 tp10 -83.08 82.15 8.37 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.653 -0.703 . . . . 71.51 109.371 -177.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -141.07 1.97 1.68 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.681 -0.69 . . . . 75.21 110.722 -173.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.458 -0.782 . . . . 74.14 110.301 -178.229 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ttt . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 120.753 0.311 . . . . 73.14 110.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.535 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 5.6 m-20 -100.98 116.1 32.03 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.414 -0.587 . . . . 75.5 109.414 177.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.543 ' O ' HG23 ' A' ' 7' ' ' VAL . 10.8 p -56.01 -35.31 40.7 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 112.988 0.736 . . . . 63.22 112.988 -169.037 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -66.58 -36.8 83.51 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.893 0.378 . . . . 70.42 110.632 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -67.98 -40.01 83.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.307 -0.406 . . . . 73.03 110.463 175.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 4.5 mm-40 -57.09 -42.28 80.42 Favored 'General case' 0 C--N 1.332 -0.168 0 O-C-N 123.458 0.474 . . . . 60.21 110.201 179.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 3' ' ' VAL . 94.0 t -60.07 -47.17 92.93 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.173 0 CA-C-N 115.994 -0.548 . . . . 72.45 111.419 -178.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 3.7 t30 -70.56 -37.55 74.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.989 0.423 . . . . 73.03 110.103 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.78 HD21 ' HB3' ' A' ' 42' ' ' LEU . 66.3 tp -60.07 -40.35 89.2 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 109.433 -0.58 . . . . 74.42 109.433 176.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.62 HD22 HG22 ' A' ' 49' ' ' THR . 53.3 tp -57.85 -51.48 69.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.451 -0.795 . . . . 63.32 110.946 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.583 HG11 HD21 ' A' ' 82' ' ' LEU . 19.6 m -66.42 -30.19 49.01 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-N 116.421 -0.354 . . . . 74.32 111.329 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 43.5 mt-10 -67.8 -45.15 75.58 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.926 0.393 . . . . 73.22 110.216 175.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 30.6 mm-40 -64.83 -37.77 88.72 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.997 -0.547 . . . . 73.44 111.205 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 10' ' ' LEU . 77.6 mt -63.82 -33.65 63.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.874 0.369 . . . . 61.12 110.11 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -63.78 -39.88 95.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.52 111.637 177.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HD3' ' OE1' ' A' ' 13' ' ' GLU . 0.7 OUTLIER -87.24 -36.62 17.85 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 111.913 0.338 . . . . 74.24 111.913 -177.002 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' A' ' 33' ' ' LEU . 7.5 tp -93.43 -18.96 21.75 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.074 0.398 . . . . 61.41 112.074 -170.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -98.05 -171.56 32.57 Favored Glycine 0 N--CA 1.443 -0.846 0 C-N-CA 120.478 -0.868 . . . . 71.25 113.151 -174.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.2 t -143.49 155.69 44.41 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.628 -0.878 . . . . 74.41 108.628 178.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -83.57 134.97 34.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.437 0.637 . . . . 54.3 111.481 -177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.538 HD21 ' HB2' ' A' ' 27' ' ' SER . 92.2 m-20 -81.26 178.0 8.66 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.091 -0.959 . . . . 64.33 110.324 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.27 -13.56 62.22 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.228 0.537 . . . . 73.44 110.254 176.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -78.61 -18.32 54.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.448 -0.796 . . . . 71.22 109.485 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.58 -0.46 65.41 Favored Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 115.792 -0.64 . . . . 73.13 112.253 -177.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.581 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 55.5 mttp -98.88 151.76 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.769 -0.253 . . . . 65.54 111.039 -179.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -72.52 146.48 46.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 53.44 110.718 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.538 ' HB2' HD21 ' A' ' 21' ' ' ASN . 30.6 t -144.25 152.5 40.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.777 -0.453 . . . . 64.11 109.777 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.9 p -153.84 141.65 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 C-N-CA 120.952 -0.299 . . . . 61.41 111.064 176.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 3.1 mmmp? -62.28 136.55 57.98 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.562 0.22 . . . . 71.52 110.786 176.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -56.28 -42.59 77.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.502 176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -62.54 -35.55 91.94 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.734 -0.667 . . . . 62.22 112.987 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.445 HG23 ' HB2' ' A' ' 29' ' ' LYS . 76.9 t -69.45 -47.8 70.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.907 0.384 . . . . 73.31 110.39 179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' A' ' 17' ' ' LEU . 3.3 tt -62.36 -45.76 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.82 -0.627 . . . . 63.23 109.725 -179.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.549 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 54.3 t80 -60.88 -45.13 95.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.745 -0.661 . . . . 75.21 110.663 179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -58.87 -50.8 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.249 -0.432 . . . . 73.33 111.653 179.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -68.91 -38.41 79.55 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 110.094 -0.336 . . . . 75.53 110.094 -175.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.15 -49.79 70.92 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.4 -0.364 . . . . 64.42 110.848 176.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.549 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 28.2 mtpp -57.1 -14.03 3.5 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 112.874 0.694 . . . . 73.24 112.874 -174.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.9 m -65.59 -37.0 85.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.035 0.445 . . . . 72.13 110.145 177.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.85 -17.82 7.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 25.13 111.087 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.474 HD22 ' HA ' ' A' ' 41' ' ' ASN . 2.0 m120 53.32 68.99 0.75 Allowed 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.916 0.865 . . . . 71.11 109.81 -170.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.78 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.1 mt -80.39 -35.76 34.82 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 114.422 -1.263 . . . . 73.33 109.515 -177.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -97.8 114.54 26.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.441 -0.799 . . . . 74.41 109.764 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -58.93 -44.59 91.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.377 0.608 . . . . 65.34 109.857 177.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.7 95.2 3.1 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.302 -0.863 . . . . 61.22 109.776 174.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 54.4 tp -57.65 -37.83 74.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.318 -0.401 . . . . 72.45 111.305 -176.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.06 -42.59 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.359 -0.382 . . . . 61.11 110.692 177.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.23 -42.32 94.29 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.156 -0.545 . . . . 72.12 111.902 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.62 HG22 HD22 ' A' ' 10' ' ' LEU . 8.8 m -57.24 -40.93 78.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.931 0.396 . . . . 71.11 110.728 175.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.7 mt -65.02 -45.6 84.83 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.003 -0.544 . . . . 75.3 110.491 177.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt -53.69 -45.72 70.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.04 -0.527 . . . . 73.23 111.013 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.01 73.26 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.715 -0.675 . . . . 42.11 111.474 -178.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.6 -26.93 61.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.077 -0.51 . . . . 61.55 111.734 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.467 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 63.2 tttm -70.36 -38.75 74.85 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.017 -0.273 . . . . 74.21 110.458 178.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 59.7 mtt180 -72.77 -26.59 61.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.75 0.309 . . . . 54.15 110.925 177.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -85.07 3.03 40.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.331 -0.395 . . . . 75.01 110.489 174.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 58.91 28.87 18.14 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.639 -0.71 . . . . 71.13 111.452 178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.688 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.9 mt -85.2 -36.54 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 CA-C-N 115.35 -0.841 . . . . 74.53 109.843 177.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -133.53 161.37 41.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.189 -0.459 . . . . 64.15 110.225 177.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.638 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.1 t -141.93 147.67 37.42 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.15 0.5 . . . . 73.35 110.503 175.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.467 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 5.0 p90 -161.77 140.91 7.42 Favored Pre-proline 0 C--N 1.319 -0.733 0 N-CA-C 108.569 -0.901 . . . . 62.2 108.569 176.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.732 ' HD2' HG13 ' A' ' 74' ' ' VAL . 73.9 Cg_exo -49.3 138.56 29.57 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.802 2.334 . . . . 73.21 112.835 -179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 71.44 -163.26 54.22 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.891 -0.671 . . . . 64.35 111.511 -175.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -155.85 13.68 0.33 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.73 0.776 . . . . 74.13 109.798 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.5 tp -157.56 130.16 7.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.166 -0.924 . . . . 74.23 110.027 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.2 pp -154.75 132.47 11.41 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.351 -0.386 . . . . 73.14 110.14 178.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 tt -134.6 -30.63 1.11 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.085 -0.507 . . . . 75.15 110.113 179.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.413 ' H ' ' CD ' ' A' ' 68' ' ' GLN . 0.1 OUTLIER -60.7 -33.31 72.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.632 -0.713 . . . . 64.24 111.418 -175.827 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 98.73 -0.3 57.88 Favored Glycine 0 C--N 1.33 0.216 0 C-N-CA 120.606 -0.807 . . . . 53.41 112.371 -179.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -76.51 -1.28 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 120.902 0.382 . . . . 74.31 111.82 -178.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -107.67 16.43 23.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.225 -0.443 . . . . 71.24 111.697 -178.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.481 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 3.7 t70 -54.78 -32.52 60.21 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.114 0.483 . . . . 72.24 111.502 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.549 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 9.0 p-10 -85.64 8.5 19.31 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.77 -0.65 . . . . 75.13 111.207 -175.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.732 HG13 ' HD2' ' A' ' 62' ' ' PRO . 40.6 t -82.9 125.65 40.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.177 0.513 . . . . 73.11 109.902 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.53 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 33.9 m-20 -91.09 126.17 36.1 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.583 -0.735 . . . . 74.55 109.99 178.191 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -85.77 108.54 17.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 108.77 -0.826 . . . . 75.34 108.77 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.0 mt -94.41 129.73 44.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 116.231 -0.44 . . . . 65.23 110.976 -174.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' O ' ' HB3' ' A' ' 25' ' ' LYS . 27.5 tp -81.87 110.77 17.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.645 -0.707 . . . . 64.22 109.557 178.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.638 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.6 mt -89.77 -29.9 18.36 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.292 -0.413 . . . . 72.53 110.966 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.688 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -128.55 131.9 48.24 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.352 -0.61 . . . . 72.41 109.352 -175.804 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -115.47 98.86 6.97 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.238 0.542 . . . . 74.5 111.598 -174.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.833 ' H ' HD23 ' A' ' 82' ' ' LEU . 2.3 pt? -98.35 -10.06 24.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.588 -0.733 . . . . 71.24 110.004 177.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.418 ' CG ' ' HG2' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -85.27 79.73 9.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.807 -0.633 . . . . 71.22 109.519 -176.263 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -107.51 133.47 51.94 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.661 -0.7 . . . . 73.24 110.975 -173.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 . . . . . 0 C--O 1.243 0.756 0 CA-C-O 118.711 -0.662 . . . . 72.5 109.275 177.487 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 ttm . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 120.714 0.292 . . . . 73.43 110.916 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -71.62 113.13 8.33 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.222 -0.444 . . . . 75.25 111.18 -175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.593 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.0 p -63.88 -26.17 39.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.796 -0.638 . . . . 64.45 109.58 176.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -58.33 -38.3 76.86 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.753 -0.658 . . . . 75.53 110.386 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.2 t-80 -72.71 -33.62 66.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.776 -0.647 . . . . 72.23 109.654 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -64.33 -38.43 91.02 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.068 -0.515 . . . . 71.22 110.143 175.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.5 t -63.41 -42.12 95.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.445 -0.343 . . . . 73.43 110.939 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -67.22 -31.78 72.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.348 0.594 . . . . 72.44 110.154 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.828 HD21 ' HB3' ' A' ' 42' ' ' LEU . 63.8 tp -71.0 -39.43 72.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.842 -0.617 . . . . 73.43 109.603 174.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.673 HD22 HG22 ' A' ' 49' ' ' THR . 58.7 tp -57.56 -51.8 68.0 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.529 -0.76 . . . . 74.1 110.548 178.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.553 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 27.8 m -61.13 -35.35 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.43 -0.35 . . . . 65.34 110.745 -179.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -64.68 -45.54 86.25 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 120.94 0.4 . . . . 74.01 110.218 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.401 ' HB3' HD21 ' A' ' 33' ' ' LEU . 51.8 mm-40 -64.39 -30.86 71.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.058 -0.519 . . . . 70.21 111.245 179.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 10' ' ' LEU . 78.2 mt -69.0 -34.12 62.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 120.829 0.347 . . . . 72.34 110.116 176.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.553 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 33.5 m-70 -70.63 -34.03 71.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.958 0.409 . . . . 71.22 110.601 173.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -81.36 -49.21 10.96 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.656 0.613 . . . . 65.34 112.656 -174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD12 HD22 ' A' ' 33' ' ' LEU . 88.9 mt -101.27 -12.05 19.0 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.787 0.327 . . . . 70.22 111.141 -174.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.44 159.81 26.36 Favored Glycine 0 N--CA 1.44 -1.052 0 C-N-CA 120.612 -0.804 . . . . 74.44 112.924 -175.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.7 t -120.64 157.41 29.63 Favored 'General case' 0 C--N 1.313 -0.995 0 N-CA-C 108.022 -1.103 . . . . 51.3 108.022 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.9 mtmt -76.41 135.99 39.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 122.245 1.021 . . . . 73.24 111.833 -177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 9.6 t-20 -72.61 -177.67 2.35 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 113.118 -1.855 . . . . 63.42 110.416 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -74.29 -24.79 59.29 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.768 0.794 . . . . 71.15 109.256 173.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -80.47 -17.12 52.62 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.526 -1.216 . . . . 64.13 110.96 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.76 2.25 61.41 Favored Glycine 0 CA--C 1.517 0.216 0 C-N-CA 120.841 -0.695 . . . . 71.34 111.932 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 62.5 mttp -88.96 141.42 28.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.615 -0.292 . . . . 71.12 110.561 177.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.537 ' HB3' HG22 ' A' ' 14' ' ' ILE . 4.0 mm? -66.33 136.44 55.81 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 110.019 -0.363 . . . . 72.35 110.019 175.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.4 m -143.31 142.03 31.18 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.781 0.324 . . . . 64.44 110.365 178.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -144.75 137.91 22.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 116.146 -0.479 . . . . 62.01 109.799 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -71.99 137.27 47.15 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.88 -0.328 . . . . 65.23 110.211 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.2 t80 -52.64 -37.52 58.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.72 -0.673 . . . . 63.44 111.202 -179.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.16 -42.2 95.11 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 121.13 -0.557 . . . . 31.42 112.81 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.77 -44.87 67.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.933 0.397 . . . . 72.12 110.421 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.402 HD22 HD12 ' A' ' 17' ' ' LEU . 2.2 tm? -63.06 -46.31 88.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.666 -0.697 . . . . 74.13 110.113 -179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.581 ' O ' ' HG3' ' A' ' 38' ' ' LYS . 52.3 t80 -64.23 -37.24 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.013 -0.539 . . . . 70.23 110.284 -178.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -57.19 -48.09 79.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.956 -0.565 . . . . 71.42 110.949 179.509 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -69.78 -36.82 76.05 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.882 -0.599 . . . . 74.15 110.508 -175.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -65.54 -31.62 72.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.14 110.896 178.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.581 ' HG3' ' O ' ' A' ' 34' ' ' PHE . 57.1 mtpt -66.17 -26.64 67.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.876 0.369 . . . . 55.33 110.706 176.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 17.1 m -87.84 -47.35 8.67 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.264 -0.425 . . . . 73.03 111.144 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.14 -30.07 18.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.185 0.439 . . . . 60.24 112.185 -175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.6 m120 61.55 57.64 2.25 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.38 0.609 . . . . 61.02 110.405 -177.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.828 ' HB3' HD21 ' A' ' 9' ' ' LEU . 97.0 mt -82.3 -46.78 13.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.315 -0.857 . . . . 73.03 111.31 -176.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CD2' HD13 ' A' ' 46' ' ' LEU . 70.4 m-85 -95.28 123.06 38.6 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.864 -0.607 . . . . 72.11 110.856 -173.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -71.85 -34.24 69.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.174 -0.466 . . . . 72.14 109.783 176.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -137.78 84.35 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.014 -0.539 . . . . 72.4 110.332 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.502 HD23 ' HD1' ' A' ' 34' ' ' PHE . 46.3 tp -61.7 -41.74 98.01 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.739 0.304 . . . . 73.03 111.424 -176.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.08 -36.24 71.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.856 0.36 . . . . 74.3 110.265 176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.75 -38.0 76.49 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.971 -0.633 . . . . 41.13 111.64 177.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.673 HG22 HD22 ' A' ' 10' ' ' LEU . 6.6 m -58.56 -45.63 88.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.024 0.44 . . . . 64.54 110.183 175.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.9 mt -61.31 -51.32 69.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.563 -0.744 . . . . 72.32 110.811 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 26.8 mmmt -56.26 -48.34 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.805 -0.634 . . . . 72.33 111.22 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.535 ' O ' ' HB2' ' A' ' 56' ' ' ARG . . . -57.58 -53.6 56.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.769 -0.65 . . . . 61.15 111.404 -179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -68.3 -38.43 81.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.088 -0.506 . . . . 74.4 111.928 -175.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 80.9 tttt -63.35 -46.74 85.16 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.958 0.408 . . . . 75.42 110.314 -179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.447 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 17.9 mmt180 -76.78 -15.21 59.81 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.08 -0.509 . . . . 65.33 111.365 -178.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.66 ' HD3' HD11 ' A' ' 58' ' ' ILE . 11.9 ttt180 -90.25 1.69 56.22 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 116.269 -0.423 . . . . 74.14 110.165 176.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt 65.04 28.34 12.44 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.26 -0.882 . . . . 64.41 111.244 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.78 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 83.6 mt -91.92 -36.2 7.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.231 -0.895 . . . . 71.41 110.229 178.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 m -137.52 163.19 31.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.27 -0.423 . . . . 65.21 109.876 177.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.654 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.2 t -140.11 146.5 38.95 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.85 -0.426 . . . . 60.23 109.85 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -166.87 147.42 5.07 Favored Pre-proline 0 C--N 1.318 -0.766 0 CA-C-N 115.566 -0.743 . . . . 71.05 109.409 177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.36 140.2 93.57 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.538 2.159 . . . . 74.52 111.683 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 88.74 142.44 8.59 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.99 -0.624 . . . . 73.22 112.421 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -103.82 -26.43 12.7 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.439 0.638 . . . . 65.44 109.311 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -146.61 111.71 5.41 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.105 -1.072 . . . . 71.54 108.105 174.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD22 ' CD2' ' A' ' 71' ' ' HIS . 4.0 mp -120.71 176.51 5.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.122 0.487 . . . . 63.34 111.278 -173.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.687 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.4 pt? -109.47 -154.26 0.53 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.221 -0.9 . . . . 64.24 110.039 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 29.9 tp60 -87.65 -72.66 0.51 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.541 -0.3 . . . . 71.32 111.14 -178.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -49.76 -46.16 39.42 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 115.158 0.823 . . . . 51.31 115.158 -169.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 t -82.23 -7.99 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.198 0.523 . . . . 44.44 111.064 -174.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.524 ' CD2' HD22 ' A' ' 66' ' ' LEU . 16.7 t-160 -106.06 -16.33 14.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.479 -0.328 . . . . 73.12 111.313 -173.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.81 -38.36 78.44 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 112.292 0.479 . . . . 72.13 112.292 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -91.75 1.91 56.84 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.255 0.55 . . . . 61.13 111.092 -175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 70.4 t -80.34 125.46 39.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.148 -0.478 . . . . 74.53 110.608 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -84.28 120.14 25.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.438 -0.801 . . . . 74.03 110.359 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.8 mm -86.44 116.9 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.858 -0.793 . . . . 72.52 108.858 176.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 60.7 mt -100.47 128.82 52.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.82 0.343 . . . . 64.45 111.274 -173.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -80.35 122.51 27.01 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.95 -0.568 . . . . 64.31 110.364 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.654 HD11 ' HB ' ' A' ' 60' ' ' THR . 92.3 mt -99.4 -36.62 9.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.353 -0.385 . . . . 62.44 110.573 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.78 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 6.0 tt0 -127.9 133.54 49.3 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.822 -0.626 . . . . 72.24 109.768 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' OD2' ' HA ' ' A' ' 84' ' ' HIS . 41.3 t0 -96.79 96.1 8.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.32 -0.622 . . . . 72.2 109.32 177.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.14 -65.74 0.63 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.666 -0.697 . . . . 63.22 110.8 -174.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -64.51 -64.81 0.78 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.593 -0.73 . . . . 61.14 110.289 -175.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.408 ' HA ' ' OD2' ' A' ' 81' ' ' ASP . 25.7 t-80 65.95 150.1 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.674 0.609 . . . . 60.03 111.017 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 17.0 p80 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.959 -0.543 . . . . 75.44 110.11 176.33 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtt . . . . . 0 N--CA 1.483 1.216 0 CA-C-O 120.678 0.275 . . . . 75.11 110.768 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 11.5 t-20 -71.12 115.34 10.15 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.433 -0.58 . . . . 73.41 109.433 174.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.6 p -55.5 -33.36 32.18 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.704 0.631 . . . . 63.01 112.704 -170.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.502 ' HB2' ' OD1' ' A' ' 2' ' ' ASN . 14.4 m-20 -56.58 -48.39 77.49 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 121.43 0.633 . . . . 73.42 109.729 175.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.04 -37.2 78.44 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.212 -0.903 . . . . 75.52 110.776 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.554 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 4.7 mm-40 -58.31 -41.94 85.61 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 62.23 110.278 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 3' ' ' VAL . 61.2 t -62.69 -47.4 93.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.13 -0.486 . . . . 73.33 110.518 178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 67.3 m-20 -60.08 -41.92 93.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.967 -0.561 . . . . 64.41 110.023 178.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -62.12 -45.28 94.17 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.614 -0.721 . . . . 74.14 110.458 178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.575 HD21 HD23 ' A' ' 50' ' ' LEU . 56.1 tp -56.75 -47.74 79.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.893 -0.594 . . . . 71.3 110.122 176.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.983 HG11 ' HB3' ' A' ' 82' ' ' LEU . 66.4 t -59.5 -42.61 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.495 -0.775 . . . . 75.32 110.949 178.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' HB3' ' NH2' ' A' ' 16' ' ' ARG . 43.7 mt-10 -60.08 -49.5 77.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.096 -0.502 . . . . 74.23 110.963 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 58.9 mm-40 -61.22 -45.65 93.68 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.317 -0.401 . . . . 73.01 111.115 -177.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.577 HG21 ' HB2' ' A' ' 78' ' ' LEU . 67.0 mt -63.91 -33.87 64.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 64.31 110.437 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.705 ' HA ' HD13 ' A' ' 26' ' ' LEU . 2.2 t-80 -67.32 -42.69 83.22 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.935 -178.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.444 ' NH2' ' HB3' ' A' ' 12' ' ' GLU . 7.1 ptp85 -86.38 -38.12 17.73 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.261 0.467 . . . . 73.33 112.261 -176.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.6 mt -87.98 -10.79 49.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.904 0.383 . . . . 64.42 111.21 -175.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -103.48 -175.29 26.11 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.736 -0.745 . . . . 33.21 112.801 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 32.4 t -145.47 148.84 33.7 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 108.802 -0.814 . . . . 55.2 108.802 177.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 63.2 mttm -80.84 128.76 34.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.313 0.578 . . . . 71.41 111.283 -178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 32.0 p30 -81.42 -170.74 2.92 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.962 -1.017 . . . . 62.01 110.951 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.53 -19.52 65.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 71.32 111.819 -175.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -84.49 -15.66 45.2 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.266 0.555 . . . . 75.23 110.045 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.69 8.29 58.38 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.917 -0.659 . . . . 65.03 112.168 -178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 47.4 mmtm -98.63 147.04 25.23 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 121.041 0.448 . . . . 71.32 110.277 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.705 HD13 ' HA ' ' A' ' 15' ' ' HIS . 40.7 mt -80.08 144.93 32.71 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.742 -0.663 . . . . 75.02 109.984 177.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.0 m -143.29 142.25 31.28 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 110.148 -0.315 . . . . 74.25 110.148 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.557 HG12 HG23 ' A' ' 14' ' ' ILE . 8.0 p -146.53 137.23 18.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.011 -0.737 . . . . 62.13 109.011 176.18 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -77.12 144.14 38.66 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.534 -0.467 . . . . 72.25 110.751 -176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 72' ' ' ASP . 86.6 t80 -51.89 -42.05 62.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.134 -0.939 . . . . 75.2 111.759 -174.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.62 -33.83 87.76 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 121.237 -0.506 . . . . 50.11 112.869 -177.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 44.7 t -71.61 -46.08 64.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.119 0.485 . . . . 72.53 110.481 -177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 tt -70.59 -43.26 69.75 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.815 -0.629 . . . . 71.15 109.821 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 89.5 t80 -62.83 -30.41 71.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.858 -0.61 . . . . 74.21 111.196 -178.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 -58.01 -48.09 81.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.977 0.418 . . . . 73.23 110.684 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.91 -42.92 69.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 74.1 110.41 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -61.51 -38.89 88.99 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.021 -0.536 . . . . 74.05 111.558 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.486 ' O ' ' HD3' ' A' ' 38' ' ' LYS . 6.1 tmtt? -55.85 -40.29 72.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.029 0.443 . . . . 62.02 110.428 -177.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.2 t -71.16 -41.9 69.8 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.036 -0.529 . . . . 73.22 111.861 -175.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -24.88 16.15 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.028 0.381 . . . . 64.31 112.028 -173.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.435 ' HA ' HD22 ' A' ' 41' ' ' ASN . 10.2 m120 57.76 63.91 1.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.55 0.69 . . . . 74.04 109.88 -171.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.7 mt -80.4 -48.56 12.72 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.088 -0.96 . . . . 55.25 109.24 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.464 ' CD2' HD13 ' A' ' 46' ' ' LEU . 33.6 m-85 -100.07 102.6 13.99 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.609 -0.723 . . . . 74.51 109.678 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -57.12 -40.32 76.87 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.429 0.633 . . . . 73.02 109.822 178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -129.46 84.62 2.23 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 115.306 -0.861 . . . . 71.14 109.32 172.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 43' ' ' PHE . 34.7 tp -56.92 -37.81 71.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.727 -0.669 . . . . 73.33 110.777 -178.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.2 p -63.61 -31.11 51.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 72.41 110.848 177.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.61 -45.83 43.08 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.914 -0.66 . . . . 61.43 111.687 178.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD22 ' A' ' 10' ' ' LEU . 5.5 m -58.07 -44.57 87.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.728 0.299 . . . . 73.43 110.553 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.575 HD23 HD21 ' A' ' 10' ' ' LEU . 96.5 mt -60.47 -47.03 87.93 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 116.226 -0.443 . . . . 53.21 110.39 176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.424 ' HE2' ' HB2' ' A' ' 51' ' ' LYS . 9.2 tppt? -53.99 -46.87 71.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.891 -0.595 . . . . 73.42 110.832 178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.92 -53.49 57.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.792 -0.64 . . . . 74.32 111.114 -178.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.515 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -71.07 -32.91 69.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.913 -0.585 . . . . 65.14 111.61 -175.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.544 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 87.0 tttt -66.17 -41.39 90.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.0 0.428 . . . . 72.34 110.696 178.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.5 mtt-85 -77.07 -13.66 59.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.131 -0.486 . . . . 64.04 110.935 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -93.07 -0.29 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.32 -0.4 . . . . 71.14 110.83 170.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 71.5 mmtt 62.13 30.12 17.71 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.919 -0.582 . . . . 74.13 111.589 -177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.515 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 62.7 mt -85.61 -39.3 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.08 -0.711 . . . . 65.21 109.08 173.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.544 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 29.6 m -131.69 169.1 22.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.147 -0.933 . . . . 74.15 109.607 177.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.9 t -151.04 147.31 26.96 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 109.562 -0.533 . . . . 52.05 109.562 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 10.6 p90 -157.29 133.52 6.14 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 121.012 0.434 . . . . 62.14 110.351 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 16.2 Cg_exo -69.67 156.27 64.05 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 123.466 2.777 . . . . 61.24 112.587 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.48 -60.25 0.91 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.914 -0.66 . . . . 64.01 112.643 176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 71.41 -56.42 0.63 Allowed 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.596 0.758 . . . . 71.55 111.292 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.0 tp -68.12 -52.13 38.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.312 -0.404 . . . . 71.31 110.322 177.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 62.0 mt 67.5 167.28 0.24 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.216 -0.902 . . . . 62.54 112.478 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.422 ' HB2' ' CG2' ' A' ' 70' ' ' VAL . 79.8 mt -148.98 131.38 15.67 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.801 -1.09 . . . . 55.42 108.397 176.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 pm0 -55.12 128.2 32.67 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.231 0.539 . . . . 73.23 111.94 -174.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.18 -33.45 4.5 Favored Glycine 0 N--CA 1.445 -0.756 0 CA-C-N 115.804 -0.635 . . . . 41.32 113.688 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 18.5 m -94.7 -19.56 6.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 117.391 0.596 . . . . 63.3 111.302 -170.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -117.25 14.53 14.82 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.536 -0.465 . . . . 60.13 111.828 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.459 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 1.1 m-20 -68.01 -14.6 63.1 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.493 0.663 . . . . 74.02 109.904 175.144 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -91.64 4.42 52.73 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.491 -0.777 . . . . 71.42 110.084 178.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 42.2 t -78.77 130.9 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 52.32 110.451 178.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -77.51 119.88 21.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.462 -0.79 . . . . 73.03 110.666 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 17.9 mm -89.48 112.88 25.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 108.383 -0.969 . . . . 65.52 108.383 172.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 63.2 mt -96.13 127.79 47.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.942 0.401 . . . . 74.32 111.195 -172.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.652 HD23 HD12 ' A' ' 26' ' ' LEU . 44.6 tp -89.84 110.68 21.59 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.313 -0.625 . . . . 74.31 109.313 175.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.1 mt -82.87 -42.24 18.01 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.006 -0.543 . . . . 71.42 110.541 -177.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.412 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 44.0 mt-30 -104.2 131.1 51.86 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.228 -0.442 . . . . 72.44 110.827 -178.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -89.92 81.54 6.28 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.157 -0.474 . . . . 64.11 109.795 175.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.983 ' HB3' HG11 ' A' ' 11' ' ' VAL . 45.4 tp -61.44 -44.4 97.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.407 -0.815 . . . . 74.11 110.365 178.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.606 ' HG2' ' H ' ' A' ' 85' ' ' HIS . 30.2 tt0 -66.85 119.82 12.53 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.633 -0.712 . . . . 72.5 109.163 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 54.6 m170 -82.05 8.71 9.98 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.695 -0.23 . . . . 72.52 111.119 -177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.606 ' H ' ' HG2' ' A' ' 83' ' ' GLU . 4.5 t-160 . . . . . 0 C--O 1.249 1.051 0 O-C-N 124.051 0.844 . . . . 63.41 111.076 173.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.746 ' HG3' ' H ' ' A' ' 2' ' ' ASN . 12.5 tpt . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.394 -0.965 . . . . 62.34 108.394 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.746 ' H ' ' HG3' ' A' ' 1' ' ' MET . 90.6 m-20 -71.29 108.54 4.81 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.701 -0.852 . . . . 72.43 108.701 173.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.565 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.7 p -50.23 -34.74 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 N-CA-C 113.846 1.054 . . . . 73.44 113.846 -160.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.49 -29.47 64.31 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.774 0.321 . . . . 74.34 111.535 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -80.43 -43.95 20.1 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.297 0.48 . . . . 74.42 112.297 -178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.515 ' OE1' ' HB3' ' A' ' 1' ' ' MET . 1.3 pm0 -63.07 -28.61 70.2 Favored 'General case' 0 C--O 1.225 -0.228 0 C-N-CA 120.239 -0.584 . . . . 60.51 111.041 175.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 3' ' ' VAL . 97.0 t -62.18 -44.65 99.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 CA-C-O 120.73 0.3 . . . . 73.41 110.397 173.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -68.38 -36.06 78.61 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.087 0.47 . . . . 60.1 110.237 177.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.674 HD21 ' HB3' ' A' ' 42' ' ' LEU . 63.9 tp -63.18 -43.71 97.45 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.809 -0.632 . . . . 70.41 110.036 176.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.536 HD22 HG22 ' A' ' 49' ' ' THR . 54.2 tp -57.64 -52.28 66.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.475 -0.784 . . . . 54.54 110.869 179.151 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' A' ' 83' ' ' GLU . 27.0 m -67.15 -30.02 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.391 -0.368 . . . . 73.45 111.434 -177.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -69.85 -40.35 75.86 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 109.944 -0.391 . . . . 65.03 109.944 176.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 53.0 mm-40 -70.2 -35.34 73.85 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.47 -0.332 . . . . 62.34 111.055 178.346 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.6 mt -62.84 -34.35 65.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.004 0.43 . . . . 74.41 110.191 176.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -70.63 -32.01 69.18 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.186 -0.461 . . . . 62.4 111.147 174.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.546 ' HB3' HD12 ' A' ' 17' ' ' LEU . 25.1 ttm-85 -82.24 -48.57 11.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.287 -0.415 . . . . 65.32 111.589 -174.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 HD12 ' HB3' ' A' ' 16' ' ' ARG . 7.6 mp -91.92 -27.33 17.97 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 72.43 111.155 -175.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 28' ' ' VAL . . . -82.41 171.76 51.82 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.975 -0.631 . . . . 70.41 112.994 -174.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.6 t -134.9 157.17 47.55 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 109.204 -0.665 . . . . 71.31 109.204 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 61.8 mttp -77.13 134.27 38.75 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.307 0.575 . . . . 63.13 110.594 178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 31.1 p30 -87.56 -174.45 4.8 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 114.959 -1.019 . . . . 74.32 110.264 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.18 -14.4 62.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.389 -0.369 . . . . 74.13 111.719 -177.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -89.33 -17.02 29.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 71.04 110.245 178.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.9 5.77 59.59 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.859 -0.686 . . . . 63.31 112.537 -178.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 20' ' ' LYS . 48.4 mttm -91.7 151.92 20.43 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.743 -0.466 . . . . 64.44 109.743 178.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.31 135.61 42.56 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.006 0.432 . . . . 74.03 110.257 173.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 46.1 m -143.21 142.63 31.48 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.891 -0.595 . . . . 60.02 109.85 175.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 18' ' ' GLY . 7.1 p -142.84 137.47 27.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 116.246 -0.434 . . . . 70.11 110.221 178.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.814 ' HD2' ' HA ' ' A' ' 73' ' ' ASP . 14.7 mtmt -62.59 126.07 26.07 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.772 0.32 . . . . 73.15 110.215 177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 87.7 t80 -53.21 -38.9 63.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.569 -0.741 . . . . 73.33 110.895 179.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.07 -30.28 66.68 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 120.991 -0.623 . . . . 71.22 112.901 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.1 t -76.45 -48.2 27.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 121.06 0.457 . . . . 72.13 110.293 179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.98 -39.16 90.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.853 -0.612 . . . . 61.43 110.282 -179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.472 ' CE2' ' HE3' ' A' ' 38' ' ' LYS . 33.6 t80 -62.57 -38.18 89.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.609 -0.723 . . . . 74.21 110.616 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -71.28 -39.99 71.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 75.03 110.708 178.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -63.09 -48.29 79.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.055 -0.52 . . . . 72.21 110.534 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -60.83 -33.91 73.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 75.5 111.702 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' HE3' ' CE2' ' A' ' 34' ' ' PHE . 90.0 mttt -58.14 -25.72 61.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.717 0.294 . . . . 72.25 111.645 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.1 t -87.63 -37.67 16.58 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.632 0.253 . . . . 73.33 111.097 -179.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -32.93 12.48 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.422 0.527 . . . . 75.2 112.422 -173.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' N ' HD22 ' A' ' 41' ' ' ASN . 0.9 OUTLIER 66.06 44.03 2.77 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.319 0.581 . . . . 71.42 110.794 -178.248 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.674 ' HB3' HD21 ' A' ' 9' ' ' LEU . 89.0 mt -80.6 -44.07 19.54 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.316 -0.856 . . . . 74.13 110.159 -178.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -96.18 95.76 8.35 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.757 -0.656 . . . . 71.11 109.655 -179.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -53.2 -48.78 67.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.852 -0.613 . . . . 72.34 110.434 -179.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.37 87.76 2.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.707 -0.679 . . . . 75.11 109.445 173.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 48.0 tp -57.93 -40.88 81.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 63.42 110.998 -175.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.556 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.2 p -61.53 -37.91 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.493 -0.321 . . . . 51.42 110.338 177.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.78 -41.85 87.93 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 121.031 -0.604 . . . . 63.11 111.796 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.536 HG22 HD22 ' A' ' 10' ' ' LEU . 17.2 m -62.03 -41.06 97.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.993 0.425 . . . . 72.04 110.419 177.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD11 ' HE1' ' A' ' 30' ' ' PHE . 94.8 mt -62.86 -47.48 83.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.899 -0.591 . . . . 74.12 110.609 177.096 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.556 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 30.7 mmmt -59.28 -41.07 88.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.408 -0.36 . . . . 75.34 110.703 178.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.22 -46.48 88.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 75.41 111.392 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.46 -31.47 53.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.172 -0.467 . . . . 55.5 111.129 -178.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.5 tttt -68.0 -37.08 81.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.279 0.562 . . . . 64.15 109.691 176.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -69.27 -34.68 75.13 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 115.5 -0.773 . . . . 73.21 110.789 177.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -86.05 9.48 17.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 72.21 111.474 179.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt 63.74 23.78 13.6 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.87 -0.605 . . . . 74.54 110.832 176.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.699 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 72.8 mt -85.43 -42.55 16.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.862 -0.608 . . . . 73.44 110.633 -177.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 35.8 m -132.39 160.85 42.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.342 -0.39 . . . . 75.13 110.294 178.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.643 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.2 t -134.31 146.75 50.27 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.02 0.438 . . . . 74.11 110.317 175.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.493 ' HA ' ' HD3' ' A' ' 62' ' ' PRO . 11.8 p90 -164.1 134.78 3.34 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.542 -0.754 . . . . 62.41 109.293 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 5.4 Cg_exo -79.46 138.78 14.05 Favored 'Trans proline' 0 N--CA 1.456 -0.69 0 C-N-CA 122.544 2.163 . . . . 75.32 111.705 -179.378 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 69.73 118.6 0.03 OUTLIER Glycine 0 CA--C 1.52 0.395 0 C-N-CA 121.29 -0.481 . . . . 53.43 113.67 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.447 ' HG2' ' HD3' ' A' ' 51' ' ' LYS . 27.5 mp0 -82.15 -23.55 35.54 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.974 0.416 . . . . 71.12 110.265 172.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.9 pp -67.6 127.42 32.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.003 -0.544 . . . . 73.12 110.578 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.8 pp -154.67 16.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.425 -0.352 . . . . 65.31 111.535 -176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.3 mp -72.24 -23.73 61.27 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 71.12 111.145 -174.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -89.98 10.26 24.7 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.161 -0.472 . . . . 61.11 111.355 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.94 73.49 Favored Glycine 0 C--N 1.334 0.428 0 C-N-CA 120.95 -0.643 . . . . 50.41 112.456 179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.2 p -84.21 -2.64 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.6 0.714 . . . . 73.24 110.849 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.55 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 2.0 m80 -107.17 11.05 29.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.107 -0.497 . . . . 73.44 112.035 -176.124 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -64.87 -39.18 93.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.894 0.378 . . . . 73.42 110.897 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.814 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 8.1 t70 -96.0 8.84 42.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.525 . . . . 75.33 110.965 -176.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 83.5 t -87.57 115.95 28.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.05 -0.523 . . . . 52.04 110.308 179.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -80.9 125.32 29.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.115 -0.493 . . . . 72.03 110.26 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 22.5 mm -85.44 116.91 29.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 108.532 -0.914 . . . . 74.32 108.532 176.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.5 mt -97.43 130.18 46.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.156 -0.474 . . . . 60.21 111.407 -171.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.6 tp -80.44 122.32 26.83 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.637 -0.71 . . . . 74.03 110.099 178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.643 HD11 ' HB ' ' A' ' 60' ' ' THR . 97.7 mt -96.74 -39.13 9.61 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.058 0.456 . . . . 73.13 110.576 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.699 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -122.3 131.72 54.05 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.164 -0.68 . . . . 63.34 109.164 -177.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -110.86 115.69 29.96 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.061 0.458 . . . . 65.22 112.02 -174.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.541 ' H ' HD23 ' A' ' 82' ' ' LEU . 2.3 pt? -126.99 -43.45 1.68 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.388 -0.824 . . . . 73.31 109.722 172.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.506 ' N ' ' HG ' ' A' ' 82' ' ' LEU . 41.9 tt0 59.97 -88.46 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 114.984 -1.007 . . . . 72.23 111.676 -176.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -152.82 135.31 15.17 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.215 -0.291 . . . . 75.43 110.215 -173.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 7.5 p80 . . . . . 0 C--O 1.245 0.831 0 CA-C-O 118.977 -0.535 . . . . 74.1 110.343 175.87 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 mmt . . . . . 0 N--CA 1.481 1.114 0 N-CA-C 109.6 -0.518 . . . . 51.21 109.6 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -108.78 108.47 19.3 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.978 -1.119 . . . . 74.33 107.978 172.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.563 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.1 p -52.33 -31.68 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 123.301 0.376 . . . . 74.31 112.004 -170.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -61.91 -28.69 69.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.558 -0.292 . . . . 71.54 111.551 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -80.8 -41.24 23.67 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 108.321 -0.992 . . . . 71.5 108.321 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.17 -41.3 92.55 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.311 -1.313 . . . . 61.22 110.89 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 3' ' ' VAL . 96.6 t -63.91 -40.97 90.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.206 -0.452 . . . . 60.03 110.67 176.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.47 ' HA ' HG22 ' A' ' 11' ' ' VAL . 89.2 m-20 -69.4 -28.25 66.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.062 0.458 . . . . 74.41 110.562 177.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 65.0 tp -69.98 -42.28 73.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.289 0.566 . . . . 74.51 109.524 173.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.533 HD22 HG22 ' A' ' 49' ' ' THR . 56.0 tp -57.1 -49.44 75.89 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.287 -0.87 . . . . 74.41 110.782 178.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.499 ' O ' ' HD2' ' A' ' 15' ' ' HIS . 30.0 m -65.52 -34.98 74.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 121.012 -0.275 . . . . 65.02 111.353 -177.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -63.13 -40.8 98.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 109.887 -0.412 . . . . 75.1 109.887 177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -66.14 -35.46 80.54 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.223 -0.444 . . . . 72.14 110.64 177.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 10' ' ' LEU . 76.1 mt -66.89 -34.17 68.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.018 0.437 . . . . 72.32 110.236 176.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.499 ' HD2' ' O ' ' A' ' 11' ' ' VAL . 32.7 m-70 -70.45 -31.05 68.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.96 0.41 . . . . 74.0 110.483 173.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.2 ttm-85 -79.87 -48.94 12.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.736 -0.665 . . . . 64.2 111.825 -174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.404 HD13 HG12 ' A' ' 32' ' ' VAL . 81.7 mt -105.34 -3.09 23.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.969 0.414 . . . . 63.1 111.206 -173.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.48 154.37 24.1 Favored Glycine 0 N--CA 1.443 -0.876 0 C-N-CA 120.6 -0.809 . . . . 64.44 112.901 -175.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -120.67 156.21 32.21 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 108.952 -0.759 . . . . 74.01 108.952 176.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -84.9 132.32 34.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.257 0.551 . . . . 55.24 111.539 -177.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -81.04 173.78 12.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.325 -0.852 . . . . 72.21 109.543 175.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.58 -16.21 64.06 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.167 0.508 . . . . 73.54 110.52 177.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -78.57 -14.79 59.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.583 -0.735 . . . . 72.45 110.656 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.48 12.46 57.1 Favored Glycine 0 N--CA 1.453 -0.167 0 C-N-CA 120.619 -0.801 . . . . 61.32 112.879 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -112.55 152.0 29.36 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.731 0.3 . . . . 61.41 110.758 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 15' ' ' HIS . 72.2 mt -80.07 139.7 36.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.854 -0.612 . . . . 61.14 110.593 178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.402 ' OG ' HG12 ' A' ' 77' ' ' ILE . 69.5 m -143.88 143.46 31.3 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.051 -0.522 . . . . 65.22 111.074 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.23 138.04 37.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.442 -0.799 . . . . 73.12 109.23 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' HB2' HG23 ' A' ' 32' ' ' VAL . 66.4 mttm -70.97 139.5 50.59 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.98 0.419 . . . . 72.12 111.013 -177.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.41 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 88.8 t80 -53.91 -38.59 64.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 75.21 110.804 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.7 -26.73 67.2 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.233 -0.508 . . . . 55.44 112.917 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.462 HG23 ' HB2' ' A' ' 29' ' ' LYS . 54.9 t -76.37 -48.5 27.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 109.472 -0.566 . . . . 74.31 109.472 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.8 mt -64.25 -46.0 85.65 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.586 -0.734 . . . . 64.44 111.085 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.505 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 15.0 t80 -61.97 -32.93 73.42 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.933 -0.576 . . . . 72.0 110.439 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 35' ' ' ARG . 4.8 tpt85 -65.43 -52.98 49.41 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.578 -0.737 . . . . 65.43 110.984 177.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -70.19 -35.9 74.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.462 -0.335 . . . . 74.14 110.498 -176.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -62.04 -39.89 93.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.454 -0.339 . . . . 74.13 111.289 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.505 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 77.2 mttt -70.4 -18.63 63.04 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.045 0.45 . . . . 73.23 110.993 178.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 29.4 t -88.76 -47.85 7.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.159 -0.473 . . . . 61.22 111.16 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.0 -23.25 15.36 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.525 0.565 . . . . 75.03 112.525 -173.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 62.45 55.72 2.23 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 121.311 0.577 . . . . 74.41 110.574 -176.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.1 mt -81.28 -41.0 22.82 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.402 -0.817 . . . . 71.11 110.314 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.0 m-85 -113.8 99.36 7.64 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.789 -0.641 . . . . 75.23 109.484 -177.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -58.46 -29.27 66.04 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.039 0.447 . . . . 63.04 110.505 -178.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.6 83.45 2.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.633 -0.712 . . . . 61.53 109.611 170.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.92 -39.19 88.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 73.14 110.814 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 48.8 t -58.48 -43.01 85.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.975 -0.557 . . . . 55.22 110.435 178.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.16 -44.12 94.48 Favored Glycine 0 C--N 1.33 0.214 0 C-N-CA 121.138 -0.553 . . . . 73.0 112.237 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.533 HG22 HD22 ' A' ' 10' ' ' LEU . 8.6 m -59.68 -40.36 87.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.896 0.379 . . . . 61.44 110.674 176.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.97 -46.51 81.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.133 -0.485 . . . . 64.32 110.844 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 68.1 mmtt -55.51 -48.87 73.96 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.377 -0.374 . . . . 74.33 110.244 176.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.32 -53.36 57.08 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.703 -0.68 . . . . 75.54 111.17 -179.029 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.569 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.9 -38.34 79.55 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.677 -0.692 . . . . 73.01 111.621 -176.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.518 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 82.9 tttt -64.9 -46.12 83.06 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.908 0.385 . . . . 71.41 110.469 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.435 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 23.5 mmt85 -70.49 -25.97 63.4 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.54 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.673 ' HB3' HG12 ' A' ' 58' ' ' ILE . 27.5 ttt180 -85.15 1.05 49.69 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.984 -0.553 . . . . 65.34 110.276 177.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt 63.12 25.55 14.95 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.642 -0.708 . . . . 74.34 111.491 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.673 HG12 ' HB3' ' A' ' 56' ' ' ARG . 36.2 mm -78.3 -43.87 27.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.032 -0.729 . . . . 72.52 109.032 174.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.41 HG12 HD12 ' A' ' 78' ' ' LEU . 31.3 m -132.67 170.48 19.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.2 -0.909 . . . . 72.32 110.317 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.642 ' HB ' HD11 ' A' ' 79' ' ' LEU . 13.1 t -146.47 150.94 36.57 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.563 -0.532 . . . . 74.32 109.563 175.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.518 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 9.8 p90 -162.03 141.92 7.6 Favored Pre-proline 0 C--N 1.32 -0.681 0 CA-C-N 116.082 -0.508 . . . . 72.1 109.862 177.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_exo -53.58 139.65 66.28 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.497 2.131 . . . . 75.25 111.617 176.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.11 -160.93 41.98 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.971 -0.633 . . . . 32.42 111.931 -174.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -164.59 8.23 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.838 0.351 . . . . 73.3 110.675 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.6 mt -137.08 178.32 7.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.149 0.499 . . . . 73.11 110.744 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.574 ' HG ' ' H ' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -152.77 -64.56 0.16 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.95 -0.568 . . . . 74.13 110.197 177.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.574 ' H ' ' HG ' ' A' ' 66' ' ' LEU . 60.2 mt 58.07 22.31 8.82 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 121.172 0.51 . . . . 64.0 111.512 175.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -163.68 -69.62 0.04 OUTLIER 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.423 -0.808 . . . . 70.15 110.22 -174.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 146.83 -1.68 0.82 Allowed Glycine 0 C--O 1.223 -0.538 0 C-N-CA 120.611 -0.804 . . . . 22.31 112.324 -178.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.6 p -61.99 -11.24 5.54 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 CA-C-O 121.347 0.594 . . . . 74.25 111.898 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.517 ' HD2' ' HB ' ' A' ' 74' ' ' VAL . 1.5 t60 -85.74 2.49 45.3 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.986 0.422 . . . . 54.23 110.394 -176.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -67.9 -36.5 80.32 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.829 0.677 . . . . 60.21 112.829 -171.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -85.48 -7.13 59.07 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.357 0.599 . . . . 44.4 110.033 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.517 ' HB ' ' HD2' ' A' ' 71' ' ' HIS . 73.8 t -76.92 132.88 32.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 CA-C-N 115.54 -0.755 . . . . 73.14 110.87 -178.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -83.44 129.23 34.98 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.047 -0.979 . . . . 74.41 110.648 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 18.6 mm -94.11 116.34 35.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 N-CA-C 108.958 -0.756 . . . . 74.03 108.958 175.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.402 HG12 ' OG ' ' A' ' 27' ' ' SER . 55.7 mt -99.34 130.86 47.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.308 -0.405 . . . . 74.32 111.461 -171.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD12 HG12 ' A' ' 59' ' ' VAL . 35.3 tp -84.16 121.1 26.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.05 -0.523 . . . . 73.22 110.284 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.642 HD11 ' HB ' ' A' ' 60' ' ' THR . 93.3 mt -94.97 -43.91 7.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.758 0.313 . . . . 73.15 111.106 -178.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.493 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 41.5 mt-30 -107.97 132.01 53.96 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.264 -0.426 . . . . 73.41 110.196 178.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -99.19 100.78 11.94 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.444 0.64 . . . . 64.43 110.056 177.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.12 -55.58 33.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.243 -0.889 . . . . 75.3 108.972 177.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.81 154.5 25.01 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.05 -0.977 . . . . 65.52 108.512 170.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.9 m-70 -89.98 -89.1 0.16 Allowed 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.576 -0.45 . . . . 71.42 110.575 -173.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 118.443 -0.789 . . . . 64.14 109.553 -179.558 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.9 mtp . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 110.376 -0.231 . . . . 72.42 110.376 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.623 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 51.8 m-80 -90.88 104.05 16.69 Favored 'General case' 0 CA--C 1.516 -0.353 0 N-CA-C 108.939 -0.763 . . . . 74.43 108.939 176.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p -71.94 -32.31 43.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.764 0.316 . . . . 70.1 111.057 -172.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -41.87 92.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.11 0.481 . . . . 64.51 110.681 177.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.45 ' HA ' ' OD1' ' A' ' 8' ' ' ASN . 0.3 OUTLIER -76.46 -28.29 56.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.849 -0.614 . . . . 73.11 110.905 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.623 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 97.9 mt-10 -73.19 -31.64 64.32 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.528 -0.306 . . . . 65.22 111.152 179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 3' ' ' VAL . 73.7 t -63.15 -49.16 84.4 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 CA-C-N 116.788 -0.187 . . . . 52.41 111.124 178.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.512 ' O ' HG22 ' A' ' 11' ' ' VAL . 2.9 p-10 -72.21 -30.92 65.4 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.578 -0.449 . . . . 62.11 110.116 178.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.526 HD21 ' HB3' ' A' ' 42' ' ' LEU . 56.6 tp -60.98 -43.63 98.55 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 109.572 -0.529 . . . . 75.51 109.572 176.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.545 HD22 HG22 ' A' ' 49' ' ' THR . 57.8 tp -56.54 -51.1 69.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.372 -0.831 . . . . 63.32 110.91 177.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.512 HG22 ' O ' ' A' ' 8' ' ' ASN . 3.5 m -66.57 -30.95 51.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.344 -0.389 . . . . 64.32 110.757 -177.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mt-10 -72.36 -37.1 68.89 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.952 -0.299 . . . . 71.42 110.884 178.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -63.98 -36.88 85.41 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.703 -0.48 . . . . 72.21 109.703 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 10' ' ' LEU . 71.0 mt -66.33 -32.84 59.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.85 -0.614 . . . . 73.34 110.18 173.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 24.7 m170 -59.06 -35.38 73.24 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.901 0.382 . . . . 75.44 110.681 174.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -86.63 -48.59 8.18 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 112.078 0.399 . . . . 72.3 112.078 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -94.59 -3.11 50.26 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.192 0.442 . . . . 64.33 112.192 -171.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -85.62 133.6 11.93 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.647 -0.787 . . . . 74.32 113.389 -174.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.2 m -96.49 145.78 25.38 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.008 -0.738 . . . . 55.44 109.008 175.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -78.24 129.96 35.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.423 0.63 . . . . 61.23 112.37 -175.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.529 HD21 ' HB2' ' A' ' 27' ' ' SER . 95.4 m-20 -87.66 177.9 6.91 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.173 -0.921 . . . . 71.42 109.258 171.177 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.56 -17.1 62.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.186 0.517 . . . . 73.25 111.245 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB3' ' HG3' ' A' ' 25' ' ' LYS . 1.2 m-20 -78.87 -16.89 56.47 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.72 -0.673 . . . . 73.4 111.612 178.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.07 2.88 88.01 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 110.454 -1.059 . . . . 40.34 110.454 -167.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.499 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 65.0 mttp -83.71 152.8 24.52 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.461 -0.57 . . . . 75.41 109.461 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -97.09 125.29 41.46 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.969 0.414 . . . . 75.45 110.772 -177.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.529 ' HB2' HD21 ' A' ' 21' ' ' ASN . 12.2 t -115.38 142.99 45.95 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.262 -0.644 . . . . 52.32 109.262 175.29 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -137.96 138.02 44.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 C-N-CA 120.153 -0.619 . . . . 72.11 110.332 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.639 ' HB2' HG23 ' A' ' 32' ' ' VAL . 73.5 mmtt -64.38 135.56 56.26 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.948 0.404 . . . . 74.42 110.352 178.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -56.7 -38.82 72.81 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.193 -0.912 . . . . 73.15 109.962 178.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.47 -47.52 90.5 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.848 -0.691 . . . . 62.33 111.947 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.639 HG23 ' HB2' ' A' ' 29' ' ' LYS . 50.6 t -62.35 -46.37 96.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 121.122 0.487 . . . . 74.35 110.296 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -46.42 79.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.382 -0.827 . . . . 64.34 110.407 -179.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -68.29 -38.88 82.11 Favored 'General case' 0 C--O 1.222 -0.369 0 CA-C-N 116.318 -0.401 . . . . 74.23 111.24 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 mtt180 -71.48 -29.41 64.8 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.674 0.273 . . . . 64.4 111.028 -178.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -68.79 -47.26 66.57 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.274 -0.639 . . . . 75.21 109.274 174.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -66.49 -31.16 71.72 Favored 'General case' 0 C--O 1.219 -0.544 0 CA-C-O 121.185 0.517 . . . . 72.43 110.652 176.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -56.64 -34.0 66.87 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.135 0.493 . . . . 71.32 110.445 177.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 40.0 m -88.99 -34.5 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.912 -0.586 . . . . 70.02 112.277 179.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.46 -34.72 9.45 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 112.87 0.693 . . . . 54.22 112.87 -172.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.44 HD22 ' HA ' ' A' ' 41' ' ' ASN . 4.3 m120 53.89 65.45 1.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.419 0.628 . . . . 43.1 111.123 -172.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 9' ' ' LEU . 88.3 mt -81.91 -31.54 31.33 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.266 -0.879 . . . . 74.53 109.427 177.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -113.76 121.03 42.82 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.416 -0.811 . . . . 72.44 109.926 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -64.58 -41.51 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.258 0.551 . . . . 75.22 110.025 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.9 86.85 2.52 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.427 -0.806 . . . . 70.23 109.622 176.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.85 -38.39 82.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.905 -0.589 . . . . 54.44 110.328 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' ' 51' ' ' LYS . 47.8 t -62.31 -32.74 55.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.06 -0.518 . . . . 72.04 110.487 177.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -73.72 -46.64 23.4 Favored Glycine 0 N--CA 1.45 -0.388 0 CA-C-N 115.933 -0.576 . . . . 73.33 112.173 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.545 HG22 HD22 ' A' ' 10' ' ' LEU . 6.9 m -59.43 -44.8 92.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 61.2 110.761 176.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.478 HD23 HD21 ' A' ' 10' ' ' LEU . 95.2 mt -61.39 -35.29 77.09 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.183 -0.462 . . . . 74.13 110.395 176.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 47' ' ' VAL . 6.8 tppt? -67.83 -44.38 77.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.867 -0.606 . . . . 72.31 110.689 -178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.4 -47.18 86.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.807 -0.633 . . . . 65.53 111.073 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.57 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.72 -28.7 60.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.728 -0.669 . . . . 42.51 111.582 -177.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 89.0 tttt -69.95 -35.85 74.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.113 0.482 . . . . 61.14 109.805 176.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -64.46 -35.92 82.48 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.939 -0.573 . . . . 55.44 110.771 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 57' ' ' LYS . 99.6 mtt180 -89.04 7.54 34.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.196 -0.456 . . . . 74.22 111.591 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 56' ' ' ARG . 6.0 mptt 58.63 23.78 11.35 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 123.203 0.601 . . . . 74.2 111.069 179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.727 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 90.3 mt -73.8 -42.25 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-N 115.148 -0.933 . . . . 64.3 108.852 176.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.7 m -135.31 159.97 40.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.291 -0.868 . . . . 53.33 109.559 176.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 7.0 t -138.06 147.54 44.17 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 109.468 -0.567 . . . . 65.41 109.468 174.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 28.2 p90 -159.89 135.61 6.03 Favored Pre-proline 0 C--N 1.313 -0.998 0 CA-C-N 115.764 -0.653 . . . . 74.03 109.701 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 4.2 Cg_exo -75.31 139.96 24.11 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.847 2.364 . . . . 64.24 111.357 177.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.28 87.97 1.67 Allowed Glycine 0 N--CA 1.442 -0.935 0 C-N-CA 120.625 -0.798 . . . . 73.23 112.797 177.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -65.68 -36.06 82.57 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.298 -0.63 . . . . 53.04 109.298 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.1 mp -101.43 105.19 16.18 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.077 -0.965 . . . . 72.54 109.33 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.698 ' H ' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER -83.48 -16.47 45.52 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.176 -0.465 . . . . 64.43 110.983 179.013 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.0 mp 67.28 -77.56 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 O-C-N 123.905 0.753 . . . . 72.44 111.772 179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -133.92 -172.84 3.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.224 -0.444 . . . . 72.0 109.818 -177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -80.85 40.07 2.46 Favored Glycine 0 C--O 1.223 -0.583 0 C-N-CA 121.069 -0.586 . . . . 73.11 112.413 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 33.9 m -97.46 -1.56 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.674 0.749 . . . . 70.22 110.183 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.35 16.57 3.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.911 -1.04 . . . . 74.24 111.165 -174.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -51.39 -40.36 59.1 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.229 0.826 . . . . 61.34 113.229 -170.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -95.49 9.01 41.59 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.989 0.423 . . . . 61.24 111.86 -170.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.1 t -80.6 121.72 34.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 O-C-N 122.091 -0.381 . . . . 75.31 110.133 177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 2.5 m-20 -78.96 122.52 26.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.896 -0.593 . . . . 74.22 110.643 -179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.99 108.84 20.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 108.192 -1.04 . . . . 65.33 108.192 172.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.1 mt -96.58 121.79 47.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.259 -0.428 . . . . 41.34 111.426 -171.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.416 ' HA ' HG12 ' A' ' 59' ' ' VAL . 8.7 tt -82.61 113.49 20.35 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 54.02 109.632 175.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.499 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 69.8 mt -89.6 -42.18 11.55 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.75 -0.659 . . . . 65.41 110.724 -176.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.727 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 28.6 tt0 -121.05 131.22 54.15 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.622 -0.717 . . . . 74.2 109.587 -175.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.439 ' OD2' ' HA ' ' A' ' 85' ' ' HIS . 4.4 t0 -99.05 99.66 10.71 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 109.472 -0.566 . . . . 72.4 109.472 -179.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 49.9 tp -70.1 -28.34 65.32 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.625 -0.716 . . . . 70.15 111.261 -178.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -88.03 -77.97 0.34 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.164 -0.471 . . . . 71.41 110.126 -172.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.507 ' O ' ' HB2' ' A' ' 85' ' ' HIS . 27.3 m80 -152.65 -89.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.351 -0.611 . . . . 71.11 109.351 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.507 ' HB2' ' O ' ' A' ' 84' ' ' HIS . 37.0 t60 . . . . . 0 C--O 1.246 0.905 0 O-C-N 123.999 0.812 . . . . 60.1 109.732 171.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.4 ttt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.866 -0.42 . . . . 72.51 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.485 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 23.5 t-20 -108.94 109.04 20.01 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.203 -0.665 . . . . 72.41 109.203 175.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.591 ' O ' HG23 ' A' ' 7' ' ' VAL . 7.4 p -61.92 -30.2 48.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 O-C-N 123.225 0.328 . . . . 63.15 111.73 -171.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -62.9 -46.21 88.9 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.112 0.482 . . . . 70.13 110.386 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 t-80 -69.52 -32.75 71.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.99 -0.55 . . . . 61.22 110.437 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 49.4 mt-10 -67.38 -29.52 69.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.307 -0.406 . . . . 70.23 110.973 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.591 HG23 ' O ' ' A' ' 3' ' ' VAL . 86.4 t -61.96 -45.24 99.16 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-O 120.988 0.423 . . . . 65.41 110.535 174.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -66.48 -31.03 71.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 60.12 110.486 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.463 HD21 ' HB3' ' A' ' 42' ' ' LEU . 58.2 tp -68.2 -41.55 81.19 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.511 -0.552 . . . . 74.2 109.511 174.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.637 HD22 HG22 ' A' ' 49' ' ' THR . 43.0 tp -58.61 -52.03 67.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.561 -0.745 . . . . 62.32 110.825 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.7 m -62.1 -31.03 50.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 65.35 111.039 -177.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.722 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 4.8 mm-40 -69.75 -49.78 49.8 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 116.358 -0.383 . . . . 62.32 111.079 176.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.02 -40.87 95.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.718 0.294 . . . . 74.22 110.906 179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.618 HG23 HG12 ' A' ' 28' ' ' VAL . 93.5 mt -59.55 -51.22 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 74.5 111.126 178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 1.036 ' HB2' HD13 ' A' ' 26' ' ' LEU . 4.7 p80 -71.54 -30.94 66.48 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.586 -0.445 . . . . 75.35 111.157 -177.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -78.32 -41.45 33.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.735 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.0 mp -86.86 -21.03 26.62 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 74.52 111.06 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.13 -165.83 40.23 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.687 -0.768 . . . . 73.01 113.932 -173.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p -142.98 158.1 43.92 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.13 -0.535 . . . . 52.13 109.843 -176.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HE3' ' HB2' ' A' ' 20' ' ' LYS . 45.1 mtmt -77.88 136.01 37.98 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.175 0.512 . . . . 74.35 111.655 -178.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -86.12 171.19 11.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.123 -0.944 . . . . 63.13 108.818 170.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.6 -21.05 65.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.36 0.6 . . . . 72.43 110.996 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.421 ' OD1' ' HG3' ' A' ' 25' ' ' LYS . 16.4 t70 -77.97 -15.15 59.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.583 -0.735 . . . . 71.42 110.413 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.27 -1.46 67.16 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.858 -0.687 . . . . 42.35 112.232 -179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 53.2 mttp -85.23 151.04 24.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.836 0.351 . . . . 65.22 110.491 177.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.036 HD13 ' HB2' ' A' ' 15' ' ' HIS . 14.2 mt -95.58 118.69 32.75 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.889 -0.596 . . . . 74.14 110.312 -176.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.2 t -122.29 144.78 48.79 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.415 -0.357 . . . . 73.34 110.843 -175.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.618 HG12 HG23 ' A' ' 14' ' ' ILE . 14.4 p -139.74 145.93 25.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.232 -0.44 . . . . 72.15 110.292 174.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 73' ' ' ASP . 12.3 mttt -65.37 135.57 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.542 -0.299 . . . . 60.35 110.87 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.416 ' HE1' HD11 ' A' ' 50' ' ' LEU . 88.3 t80 -56.61 -41.75 77.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.019 -0.537 . . . . 61.25 110.777 177.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.532 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -61.1 -32.61 81.03 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 121.127 -0.558 . . . . 61.24 112.453 -178.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 80.7 t -68.2 -51.09 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.024 0.44 . . . . 74.1 110.338 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD21 ' HE2' ' A' ' 43' ' ' PHE . 1.0 OUTLIER -64.56 -42.33 95.75 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.64 . . . . 70.11 110.127 179.203 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 38' ' ' LYS . 37.9 t80 -60.33 -41.12 92.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.783 -0.644 . . . . 74.42 110.583 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.425 HH21 ' CG ' ' A' ' 36' ' ' ASP . 9.9 ttp180 -64.76 -51.83 60.19 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.314 0.578 . . . . 71.51 110.984 178.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' CG ' HH21 ' A' ' 35' ' ' ARG . 1.4 m-20 -69.93 -36.78 75.59 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.522 -0.763 . . . . 74.54 112.137 -173.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -66.19 -36.99 84.53 Favored 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 120.552 -0.459 . . . . 75.4 110.689 178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 34' ' ' PHE . 84.4 mttt -59.49 -25.08 64.15 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.97 0.414 . . . . 63.12 111.158 176.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.6 m -83.24 -29.84 28.14 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.003 -0.544 . . . . 74.31 111.735 -174.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.54 -25.92 5.89 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.283 0.475 . . . . 73.52 112.283 -174.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.411 HD22 ' HA ' ' A' ' 41' ' ' ASN . 12.3 m120 59.29 60.59 2.3 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.589 0.709 . . . . 71.23 110.167 -174.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.463 ' HB3' HD21 ' A' ' 9' ' ' LEU . 90.7 mt -80.63 -35.87 33.4 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.083 -0.962 . . . . 63.25 109.635 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' HE2' HD21 ' A' ' 33' ' ' LEU . 54.2 m-85 -101.14 129.29 47.01 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.166 -0.925 . . . . 74.25 109.437 177.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -70.34 -53.44 16.68 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.536 -0.913 . . . . 74.41 108.536 179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.98 85.12 2.27 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.404 -0.816 . . . . 61.31 109.863 175.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 65.9 tp -54.32 -44.36 71.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.955 -0.566 . . . . 74.21 111.245 -176.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 9.5 p -66.66 -35.2 74.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.339 . . . . 45.13 110.758 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.95 -40.49 62.91 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.903 -0.665 . . . . 65.14 111.973 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.637 HG22 HD22 ' A' ' 10' ' ' LEU . 13.7 m -60.79 -40.5 92.88 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.848 0.356 . . . . 65.33 110.278 176.68 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 96.0 mt -62.2 -49.37 76.05 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.906 -0.588 . . . . 72.24 110.536 176.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 50.6 mmtt -55.48 -48.99 73.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.78 -0.645 . . . . 71.43 111.147 177.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.63 76.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 73.44 111.7 -177.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.456 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -70.71 -30.44 67.0 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.734 0.302 . . . . 72.11 111.365 -177.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.579 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.0 tttt -67.99 -41.3 82.52 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.934 -0.395 . . . . 62.02 109.934 177.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.449 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 30.8 mmt180 -73.2 -23.67 60.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.083 -0.508 . . . . 72.43 111.048 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -85.13 3.47 38.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.353 -0.385 . . . . 63.42 110.605 175.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt 63.55 25.03 14.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.908 -0.587 . . . . 72.42 110.71 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.66 HG12 HE21 ' A' ' 80' ' ' GLN . 56.7 mt -87.49 -36.21 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.785 -0.643 . . . . 44.55 110.285 -179.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.1 m -135.84 161.88 37.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.475 -0.33 . . . . 73.12 110.198 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.751 ' HB ' HD11 ' A' ' 79' ' ' LEU . 14.8 t -139.58 147.04 40.58 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 120.99 0.424 . . . . 62.51 110.279 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.5 p90 -164.86 134.38 2.87 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.551 -0.75 . . . . 62.41 109.503 177.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.685 ' HD2' HG13 ' A' ' 74' ' ' VAL . 24.5 Cg_exo -63.85 140.21 72.31 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.817 2.345 . . . . 70.32 112.306 -179.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 94.93 135.89 8.24 Favored Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 120.81 -0.71 . . . . 72.5 112.494 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -104.73 -14.52 15.54 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.195 0.521 . . . . 54.41 110.244 175.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 66.5 mt -137.13 160.07 40.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.347 -0.842 . . . . 62.25 110.418 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -158.16 149.45 21.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.42 -0.809 . . . . 65.3 109.042 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.8 mt -97.24 -77.16 0.5 Allowed 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.081 0.467 . . . . 62.04 110.072 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -98.48 -169.52 1.81 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.906 -0.588 . . . . 71.03 109.709 177.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -81.22 38.42 2.42 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.843 -0.694 . . . . 71.32 112.51 -179.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 10.8 p -76.6 -16.43 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.388 0.613 . . . . 72.24 110.395 -178.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -80.79 16.17 1.52 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.794 -0.639 . . . . 73.12 111.389 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.532 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 16.7 t70 -55.02 -32.45 61.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.481 -0.327 . . . . 52.41 111.465 177.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.631 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 26.9 t70 -84.21 -3.16 57.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.4 0.619 . . . . 62.41 110.496 -175.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.685 HG13 ' HD2' ' A' ' 62' ' ' PRO . 94.4 t -83.52 121.07 35.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.931 -0.577 . . . . 52.25 109.883 176.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -93.75 127.78 39.64 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.103 -0.499 . . . . 72.5 109.972 177.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 14.7 mm -86.43 109.26 18.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 108.716 -0.846 . . . . 75.53 108.716 177.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.0 mt -95.5 126.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.222 -0.444 . . . . 61.14 111.0 -173.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 30.6 tp -79.7 110.76 15.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.065 -0.516 . . . . 75.32 109.66 177.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.751 HD11 ' HB ' ' A' ' 60' ' ' THR . 90.9 mt -84.62 -36.44 22.0 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.922 -0.581 . . . . 73.25 110.741 -178.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.66 HE21 HG12 ' A' ' 58' ' ' ILE . 9.1 tt0 -121.06 131.17 54.11 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.951 -0.568 . . . . 40.32 110.062 -177.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.467 ' OD2' ' HB2' ' A' ' 84' ' ' HIS . 27.7 t70 -88.86 105.39 17.71 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.786 -0.45 . . . . 74.51 109.786 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD12 ' HG2' ' A' ' 83' ' ' GLU . 2.3 tm? -94.3 -65.9 0.95 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.084 -0.507 . . . . 63.31 110.157 -177.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.449 ' HG2' HD12 ' A' ' 82' ' ' LEU . 8.1 mm-40 -95.96 97.43 9.61 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.081 -0.509 . . . . 63.55 110.125 178.076 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.467 ' HB2' ' OD2' ' A' ' 81' ' ' ASP . 41.3 t-80 -90.55 103.43 16.12 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.17 -0.468 . . . . 64.31 110.437 -176.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 44.7 m80 . . . . . 0 C--O 1.243 0.724 0 CA-C-O 118.554 -0.736 . . . . 72.13 109.449 177.481 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.1 ttm . . . . . 0 N--CA 1.482 1.146 0 N-CA-C 109.951 -0.389 . . . . 72.02 109.951 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -70.12 118.38 12.88 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.671 -0.492 . . . . 54.21 109.671 176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.489 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.3 p -60.65 -27.63 41.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.963 -0.562 . . . . 72.4 111.646 -175.397 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.07 -40.93 77.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.303 -0.408 . . . . 73.53 111.195 179.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -63.22 -39.3 94.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.691 -0.231 . . . . 61.32 110.694 178.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -60.87 -40.93 94.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.29 -0.414 . . . . 71.33 110.227 176.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG23 ' O ' ' A' ' 3' ' ' VAL . 55.5 t -62.59 -48.16 89.51 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.232 0 CA-C-N 116.071 -0.513 . . . . 73.41 111.177 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.508 ' O ' HG22 ' A' ' 11' ' ' VAL . 84.4 m-20 -69.86 -27.82 65.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.973 0.416 . . . . 62.52 110.473 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 60.2 tp -67.04 -40.7 87.2 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.461 -0.57 . . . . 62.34 109.461 173.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.681 HD22 HG22 ' A' ' 49' ' ' THR . 50.7 tp -57.9 -49.16 77.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.741 -0.663 . . . . 74.32 110.999 177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 8' ' ' ASN . 4.4 m -63.5 -33.39 61.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 C-N-CA 120.889 -0.324 . . . . 64.03 110.458 -178.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' OE1' ' HD3' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -65.13 -48.87 72.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 71.43 110.197 178.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 44.3 mm-40 -61.57 -40.01 93.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.909 -0.587 . . . . 54.24 110.982 -179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' LEU . 59.1 mt -68.18 -33.28 59.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 74.31 110.844 178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -60.47 -41.64 94.59 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.837 0.351 . . . . 73.03 111.306 176.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.48 ' HD3' ' OE1' ' A' ' 12' ' ' GLU . 8.4 mtp-105 -86.9 -49.03 7.67 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.621 0.6 . . . . 60.22 112.621 -176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.6 mp -82.68 -18.01 42.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.58 0.228 . . . . 73.23 111.507 -175.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA2' ' HB ' ' A' ' 28' ' ' VAL . . . -81.22 162.37 44.08 Favored Glycine 0 N--CA 1.441 -1.019 0 C-N-CA 120.88 -0.676 . . . . 70.25 112.866 -175.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.2 t -122.22 154.07 37.99 Favored 'General case' 0 C--N 1.313 -0.979 0 N-CA-C 108.87 -0.789 . . . . 62.04 108.87 178.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt -81.71 130.43 35.06 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.375 0.607 . . . . 75.1 111.125 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.3 p30 -87.89 -174.54 4.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.031 -0.986 . . . . 70.4 110.205 178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.91 -23.99 63.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.089 0.471 . . . . 43.34 111.043 -178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -78.32 -14.95 59.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.749 -0.659 . . . . 61.24 110.692 -179.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.58 18.06 34.09 Favored Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.884 -0.598 . . . . 71.01 112.907 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.2 mttp -120.25 166.18 13.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.876 0.37 . . . . 73.45 111.166 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -77.57 138.23 39.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.056 -0.52 . . . . 42.14 111.02 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.1 m -143.36 143.16 31.55 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.843 -0.617 . . . . 62.13 109.519 173.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.498 ' HB ' ' HA2' ' A' ' 18' ' ' GLY . 8.4 p -145.35 137.65 20.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.541 0.21 . . . . 64.32 110.556 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -63.05 128.87 37.87 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.628 -0.508 . . . . 63.44 109.628 174.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 66.2 t80 -54.94 -38.2 67.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.141 -0.481 . . . . 71.42 110.781 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.42 -31.87 75.64 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.073 -0.584 . . . . 52.23 112.536 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 88.0 t -75.42 -47.61 34.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.051 0.453 . . . . 73.31 110.288 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD21 ' HE2' ' A' ' 43' ' ' PHE . 5.7 tt -65.74 -46.35 79.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.667 -0.697 . . . . 71.12 110.152 -179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.45 ' HD1' HD13 ' A' ' 46' ' ' LEU . 81.3 t80 -62.6 -42.87 99.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.057 -0.52 . . . . 74.2 110.929 -177.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -62.14 -44.29 96.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.142 -0.481 . . . . 72.43 110.567 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -70.17 -40.45 74.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.203 -0.453 . . . . 74.2 109.992 -177.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -59.57 -49.45 77.74 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 116.135 -0.484 . . . . 64.23 111.049 175.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 26.9 mmtm -64.36 -13.66 51.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.789 0.328 . . . . 70.32 111.773 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.2 m -87.02 -16.34 35.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.466 -0.334 . . . . 74.22 111.069 176.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 41' ' ' ASN . . . -120.45 -32.7 4.03 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.816 0.341 . . . . 71.21 111.804 -176.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.458 ' N ' HD22 ' A' ' 41' ' ' ASN . 0.9 OUTLIER 72.83 56.16 0.13 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 123.804 0.842 . . . . 70.02 110.094 -176.476 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 74.1 mt -82.24 -49.49 10.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.06 -0.973 . . . . 63.1 110.602 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' HE2' HD21 ' A' ' 33' ' ' LEU . 71.7 m-85 -92.41 125.16 36.94 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.886 -0.597 . . . . 72.43 110.948 -176.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -53.48 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.376 -0.972 . . . . 71.15 108.376 174.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.64 84.75 2.32 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.584 -0.735 . . . . 71.54 110.269 176.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.45 HD13 ' HD1' ' A' ' 34' ' ' PHE . 1.8 tt -62.42 -45.65 92.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 74.53 110.181 -177.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.5 t -61.92 -42.14 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 55.42 110.824 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.82 -35.71 91.23 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.833 -0.699 . . . . 75.43 111.674 177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.681 HG22 HD22 ' A' ' 10' ' ' LEU . 91.7 m -66.44 -39.03 88.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.884 0.373 . . . . 73.33 110.748 177.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.52 HD11 ' CE1' ' A' ' 30' ' ' PHE . 92.5 mt -57.62 -48.64 78.86 Favored 'General case' 0 CA--C 1.52 -0.204 0 CA-C-N 116.084 -0.507 . . . . 63.04 110.592 176.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 2.3 mptm? -62.31 -43.96 97.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 61.34 110.907 178.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.84 -47.99 79.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.115 -0.493 . . . . 72.31 111.641 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.417 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.44 -26.15 59.88 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.22 -0.445 . . . . 71.14 111.388 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 81.9 tttt -75.85 -33.06 60.0 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.878 -0.416 . . . . 72.44 109.878 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 92.8 mtt-85 -69.93 -29.91 67.18 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.343 -0.389 . . . . 65.54 110.543 175.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.634 ' HB2' HG12 ' A' ' 58' ' ' ILE . 94.7 mtt180 -84.56 -5.07 59.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.275 -0.421 . . . . 74.55 110.695 176.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 76.1 mttt 60.12 33.26 21.17 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 121.451 0.643 . . . . 73.23 110.466 -176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.634 HG12 ' HB2' ' A' ' 56' ' ' ARG . 24.4 mm -78.37 -45.52 26.22 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.325 0 CA-C-N 115.182 -0.917 . . . . 73.41 108.914 175.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.0 m -131.76 163.19 38.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.264 -0.88 . . . . 43.02 110.405 -178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.644 ' HB ' HD11 ' A' ' 79' ' ' LEU . 15.4 t -139.27 147.64 41.95 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 121.121 0.486 . . . . 74.22 110.425 176.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' HE2' HD21 ' A' ' 66' ' ' LEU . 7.0 p90 -160.48 136.36 6.08 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 115.366 -0.834 . . . . 74.03 109.238 175.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 14.5 Cg_exo -69.33 140.91 45.5 Favored 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.991 2.461 . . . . 63.33 112.203 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 103.53 106.55 3.08 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.502 -0.856 . . . . 73.25 112.779 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.05 -14.92 52.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.272 0.558 . . . . 73.35 109.782 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 59.5 tp -127.5 106.98 9.55 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.533 -0.758 . . . . 72.44 109.622 177.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.552 HD21 ' HE2' ' A' ' 61' ' ' TYR . 3.3 mm? -82.5 111.2 18.3 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.086 0.47 . . . . 72.52 110.741 -176.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.7 mt -83.48 -174.08 5.08 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.906 -0.588 . . . . 73.44 109.853 174.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -61.76 -78.3 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.512 0.56 . . . . 74.53 112.512 -173.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -92.05 10.04 75.24 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.593 -0.813 . . . . 43.33 113.12 -170.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.2 p -92.71 -14.23 8.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 120.934 0.397 . . . . 71.22 110.78 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.681 ' O ' HG12 ' A' ' 74' ' ' VAL . 2.3 p-80 -99.05 -11.69 21.24 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.432 -0.507 . . . . 74.33 111.753 -173.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -68.34 -38.88 81.92 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 121.962 -0.461 . . . . 70.44 111.615 -171.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -103.66 9.36 37.3 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.839 -0.344 . . . . 75.5 110.941 -177.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.681 HG12 ' O ' ' A' ' 71' ' ' HIS . 8.3 p -74.04 119.44 21.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 C-N-CA 119.578 -0.849 . . . . 74.43 109.444 -179.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -79.55 118.34 21.32 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.578 -0.737 . . . . 71.33 111.014 -177.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.5 mm -85.74 108.07 16.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.031 -1.1 . . . . 75.13 108.031 173.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.8 mt -94.79 128.91 45.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.162 -0.472 . . . . 75.03 110.951 -174.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.5 tp -81.83 110.43 17.12 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.622 -0.51 . . . . 61.3 109.622 177.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.644 HD11 ' HB ' ' A' ' 60' ' ' THR . 87.6 mt -87.56 -32.24 19.46 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 63.03 110.59 -178.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -128.71 132.85 48.02 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.819 -0.628 . . . . 72.1 110.064 -177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -114.86 129.44 56.7 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.661 -0.866 . . . . 74.42 108.661 171.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.1 pp -92.0 -36.58 13.32 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.696 -0.402 . . . . 74.01 109.926 -178.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -66.12 -47.84 72.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.505 -0.77 . . . . 71.2 111.105 -173.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 76.6 m80 65.31 -76.12 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.664 0.602 . . . . 75.42 110.719 -174.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 20.1 p80 . . . . . 0 C--O 1.247 0.974 0 CA-C-O 118.064 -0.969 . . . . 75.1 109.15 178.027 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.3 mtp . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 121.036 0.446 . . . . 65.24 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.477 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 6.1 m-20 -108.26 134.14 51.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.856 -0.794 . . . . 74.42 108.856 174.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.9 p -51.91 -36.4 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 O-C-N 123.673 0.608 . . . . 61.2 112.302 -171.506 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -61.15 -39.69 91.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.874 0.369 . . . . 64.11 111.921 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.1 m80 -79.77 -29.34 40.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.845 0.355 . . . . 54.31 110.907 179.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 18.6 mm-40 -67.51 -28.95 68.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.113 -0.494 . . . . 72.51 110.108 177.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.656 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.6 t -57.41 -42.47 80.67 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.158 0 CA-C-N 116.311 -0.404 . . . . 62.13 110.297 173.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' GLU . 4.9 t30 -61.58 -41.53 97.54 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 109.663 -0.495 . . . . 65.32 109.663 176.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.8 tp -61.17 -42.62 98.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.644 -0.707 . . . . 55.0 110.234 178.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.529 HD22 HG22 ' A' ' 49' ' ' THR . 57.0 tp -56.52 -47.02 80.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.615 -0.72 . . . . 72.4 110.032 175.374 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 7' ' ' VAL . 78.9 t -57.74 -42.98 82.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.803 -0.635 . . . . 73.42 111.223 178.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' ASN . 41.1 mt-10 -61.5 -46.5 89.74 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 116.327 -0.397 . . . . 63.3 110.718 178.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -63.81 -36.9 85.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.307 -0.406 . . . . 71.33 111.068 178.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 10' ' ' LEU . 96.1 mt -62.88 -33.49 60.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.983 0.42 . . . . 63.45 110.641 176.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HA ' HD13 ' A' ' 26' ' ' LEU . 5.5 m-70 -64.03 -42.78 96.97 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.422 -0.354 . . . . 71.23 111.574 177.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HE ' ' HB3' ' A' ' 16' ' ' ARG . 2.1 ptp180 -86.12 -37.24 19.0 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 112.352 0.501 . . . . 63.41 112.352 -175.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HG ' ' HG3' ' A' ' 16' ' ' ARG . 53.9 mt -94.22 -3.56 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.717 0.294 . . . . 73.22 111.259 -175.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -119.69 174.68 15.59 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.505 -0.855 . . . . 42.54 113.188 -177.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 48.3 m -137.61 157.68 45.99 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.772 0.429 . . . . 62.42 110.062 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -76.38 135.08 39.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.086 0.47 . . . . 53.35 111.211 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 p30 -88.82 -171.27 3.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.391 -0.822 . . . . 74.13 110.541 176.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.17 -16.96 64.41 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.4 0.518 . . . . 71.11 112.4 -175.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 27.4 t70 -90.58 -14.3 32.76 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.559 0.695 . . . . 43.12 110.314 179.413 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.73 -1.2 63.46 Favored Glycine 0 N--CA 1.448 -0.542 0 CA-C-N 115.584 -0.734 . . . . 74.41 112.083 -178.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 54.6 mttp -84.8 158.38 20.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.36 -0.607 . . . . 71.3 109.36 176.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.482 HD13 ' HA ' ' A' ' 15' ' ' HIS . 98.9 mt -84.75 144.53 28.44 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 120.853 0.359 . . . . 73.22 110.362 179.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.448 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 18.0 m -139.39 141.86 37.54 Favored 'General case' 0 C--N 1.311 -1.089 0 N-CA-C 109.226 -0.657 . . . . 72.21 109.226 173.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.3 138.78 49.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.288 -0.415 . . . . 62.41 110.241 -176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.663 ' HB2' HG22 ' A' ' 32' ' ' VAL . 47.1 mmtm -65.82 136.79 56.65 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.754 -0.462 . . . . 74.34 109.754 176.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.634 ' CZ ' HD13 ' A' ' 66' ' ' LEU . 80.7 t80 -61.6 -39.13 90.11 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 115.649 -0.705 . . . . 72.14 109.718 177.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.02 -48.54 85.58 Favored Glycine 0 N--CA 1.446 -0.684 0 CA-C-N 115.307 -0.861 . . . . 71.23 113.93 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.663 HG22 ' HB2' ' A' ' 29' ' ' LYS . 33.7 m -68.8 -32.22 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-N 117.391 0.595 . . . . 75.43 111.311 -176.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 tt -73.61 -46.42 47.13 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.738 -0.468 . . . . 72.22 109.738 178.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -63.31 -36.33 83.33 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.151 0.5 . . . . 73.02 110.057 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.8 ttp180 -53.16 -51.24 62.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.573 -0.739 . . . . 61.42 111.16 174.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -69.87 -38.58 76.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.023 -0.535 . . . . 74.41 110.288 -175.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -67.44 -32.19 72.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.026 -0.533 . . . . 71.4 111.284 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 mtmt -63.58 -31.99 73.33 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.954 0.406 . . . . 54.44 110.648 175.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.4 t -87.51 -45.5 10.43 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.123 -0.489 . . . . 43.22 111.352 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.01 -27.95 14.87 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.329 0.492 . . . . 74.2 112.329 -174.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 9.7 m120 56.59 66.29 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.205 0.526 . . . . 73.2 109.87 -170.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 91.8 mt -80.43 -37.0 32.89 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.544 -0.753 . . . . 71.44 109.579 -179.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -115.36 107.6 15.44 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.11 -0.95 . . . . 72.33 109.375 179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.85 -29.91 65.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.205 0.526 . . . . 61.31 109.906 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.96 83.99 2.13 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.641 -0.709 . . . . 73.52 109.366 170.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.7 tt -57.62 -46.79 83.67 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.412 -0.588 . . . . 75.33 109.412 -179.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.707 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 46.5 t -56.22 -50.27 71.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.5 -0.773 . . . . 72.14 110.383 177.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -59.78 -38.07 93.39 Favored Glycine 0 C--N 1.33 0.243 0 C-N-CA 121.054 -0.593 . . . . 71.11 112.511 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.529 HG22 HD22 ' A' ' 10' ' ' LEU . 18.9 m -65.16 -38.7 91.39 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.09 0.472 . . . . 63.22 110.461 178.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.0 mt -63.96 -46.31 85.22 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.877 -0.602 . . . . 72.42 110.544 176.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 26.4 mmmt -59.78 -43.47 94.36 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.269 -0.423 . . . . 63.43 110.054 179.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.94 -53.46 57.69 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.855 -0.611 . . . . 62.32 111.477 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.756 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.75 -35.48 77.15 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.818 -0.628 . . . . 72.12 111.173 -177.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 88.4 tttt -62.56 -43.25 99.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.179 0.514 . . . . 70.14 110.385 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 51' ' ' LYS . 49.5 mtp180 -73.6 -27.28 61.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.487 . . . . 75.42 111.078 -179.167 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.65 ' HB3' HG12 ' A' ' 58' ' ' ILE . 35.8 ttt180 -90.6 14.84 12.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.188 -0.46 . . . . 75.42 110.715 178.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.407 ' HG2' ' C ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER 51.89 25.56 3.12 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.983 0.913 . . . . 74.15 111.966 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.756 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 42.3 mm -76.67 -42.91 34.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 109.221 -0.659 . . . . 74.15 109.221 176.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.468 HG12 ' HA ' ' A' ' 78' ' ' LEU . 28.2 m -137.63 170.25 17.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.028 -0.987 . . . . 43.03 109.745 179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.496 ' HB ' HD11 ' A' ' 79' ' ' LEU . 7.3 t -148.89 152.45 36.45 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.186 -0.461 . . . . 74.03 109.939 174.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.442 ' CE1' ' HD2' ' A' ' 54' ' ' LYS . 19.3 p90 -161.77 135.85 5.02 Favored Pre-proline 0 C--N 1.319 -0.721 0 N-CA-C 109.207 -0.664 . . . . 62.43 109.207 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 34.8 Cg_exo -60.1 140.43 92.41 Favored 'Trans proline' 0 C--O 1.236 0.4 0 C-N-CA 122.751 2.3 . . . . 72.12 111.799 178.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.435 ' HA3' ' HE1' ' A' ' 71' ' ' HIS . . . 93.83 172.4 39.18 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.891 -0.671 . . . . 73.1 111.908 -177.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.402 ' HG3' ' NZ ' ' A' ' 51' ' ' LYS . 4.7 tp10 -132.24 -28.15 1.73 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.037 0.446 . . . . 72.11 110.266 -178.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 40.9 tp -121.35 156.0 33.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.829 -0.623 . . . . 43.31 109.817 176.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.634 HD13 ' CZ ' ' A' ' 30' ' ' PHE . 0.2 OUTLIER -124.03 -15.61 6.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.286 -0.416 . . . . 53.21 112.054 -175.431 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 81.4 mt 62.07 -85.46 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.623 0.577 . . . . 75.43 110.195 -173.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -128.43 -69.67 0.71 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.232 -0.655 . . . . 51.01 109.232 173.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.68 42.63 0.91 Allowed Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.582 -0.818 . . . . 75.11 112.445 178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.62 HG13 ' HD2' ' A' ' 71' ' ' HIS . 7.6 p -79.43 -11.18 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.591 0.71 . . . . 64.25 110.054 178.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.62 ' HD2' HG13 ' A' ' 70' ' ' VAL . 7.0 m170 -115.82 18.11 15.8 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.378 -0.828 . . . . 74.14 109.996 177.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.88 -38.48 56.3 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.092 -0.958 . . . . 72.01 112.1 -178.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -87.1 5.66 36.57 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 111.931 0.345 . . . . 72.44 111.931 -176.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 73.7 t -84.7 133.05 30.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 120.985 0.421 . . . . 54.11 110.631 -179.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB3' ' HB3' ' A' ' 27' ' ' SER . 2.6 m-20 -83.9 119.42 24.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.534 -0.757 . . . . 73.12 109.935 175.011 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 12.2 mm -85.58 113.89 24.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 108.498 -0.927 . . . . 74.11 108.498 176.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -92.55 124.49 45.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.139 -0.482 . . . . 71.22 111.407 -171.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.468 ' HA ' HG12 ' A' ' 59' ' ' VAL . 40.4 tp -80.2 111.11 16.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.416 -0.811 . . . . 74.44 109.423 176.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.576 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 96.7 mt -82.73 -42.34 18.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.895 0.378 . . . . 71.3 110.464 -177.57 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.413 ' HB2' ' HA ' ' A' ' 58' ' ' ILE . 45.3 mt-30 -112.86 130.79 55.97 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.928 -0.578 . . . . 64.43 110.294 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -125.49 122.77 37.59 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.978 -0.555 . . . . 72.33 109.962 177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.708 ' H ' HD23 ' A' ' 82' ' ' LEU . 2.5 pt? -105.8 -1.31 24.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.056 -0.52 . . . . 54.33 111.823 -174.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.98 94.62 2.87 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.433 -0.58 . . . . 74.24 109.433 178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -93.06 119.79 32.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.108 -0.496 . . . . 71.22 110.642 -174.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.603 -0.713 . . . . 73.13 110.395 179.183 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mmt . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 108.744 -0.835 . . . . 70.14 108.744 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -75.42 114.03 13.51 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.111 -1.07 . . . . 71.25 108.111 170.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.578 ' O ' HG23 ' A' ' 7' ' ' VAL . 12.7 p -61.25 -36.56 73.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 111.855 0.317 . . . . 74.44 111.855 -169.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.38 -35.11 78.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.285 0.564 . . . . 73.24 109.946 178.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.1 -35.47 56.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.676 -0.693 . . . . 73.54 110.405 177.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.33 -30.02 70.33 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.782 -0.19 . . . . 73.21 111.041 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 3' ' ' VAL . 92.3 t -61.83 -40.33 86.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 42.54 110.32 174.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HA ' HG22 ' A' ' 11' ' ' VAL . 65.6 m-20 -70.78 -29.37 65.56 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.107 0.48 . . . . 74.42 110.076 178.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.539 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 67.7 tp -71.33 -40.93 70.44 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.604 -0.517 . . . . 74.31 109.604 175.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 14' ' ' ILE . 53.4 tp -57.53 -52.26 66.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.76 -0.655 . . . . 74.42 110.637 178.416 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 8' ' ' ASN . 29.3 m -63.56 -30.1 48.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.513 -0.312 . . . . 54.33 111.219 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.41 -48.03 74.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.045 0.45 . . . . 74.24 109.85 176.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 4.6 mm-40 -65.85 -36.94 84.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.766 -0.652 . . . . 64.23 110.824 -179.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 10' ' ' LEU . 70.5 mt -66.14 -32.2 57.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.829 0.347 . . . . 73.43 110.422 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -66.72 -42.49 86.26 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 121.125 -0.23 . . . . 74.24 111.536 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.658 ' HG3' HD12 ' A' ' 17' ' ' LEU . 27.5 ptt85 -86.72 -39.43 16.01 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.442 0.534 . . . . 74.04 112.442 -176.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.658 HD12 ' HG3' ' A' ' 16' ' ' ARG . 10.0 mp -86.1 -18.61 31.9 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.859 0.361 . . . . 61.43 111.269 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -68.03 137.39 31.69 Favored Glycine 0 N--CA 1.44 -1.083 0 CA-C-N 115.838 -0.619 . . . . 44.24 113.075 -174.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.0 m -99.26 155.61 17.41 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 108.806 -0.813 . . . . 60.23 108.806 174.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -76.7 123.39 26.08 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.477 0.656 . . . . 75.44 110.827 178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -73.67 178.11 4.97 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.717 -1.129 . . . . 75.22 109.449 177.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.38 -15.25 61.37 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 121.375 0.607 . . . . 72.05 110.229 179.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.459 ' OD2' ' HG3' ' A' ' 25' ' ' LYS . 21.9 t70 -93.47 -14.9 26.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.397 -0.819 . . . . 64.53 111.199 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 4.06 60.72 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.195 -1.002 . . . . 60.32 111.689 -172.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.459 ' HG3' ' OD2' ' A' ' 23' ' ' ASP . 58.5 mttp -83.64 150.36 25.94 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.978 -0.379 . . . . 74.24 109.978 175.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.68 131.36 34.59 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 109.474 -0.565 . . . . 74.11 109.474 175.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.0 m -142.1 142.34 32.78 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 116.149 -0.478 . . . . 74.54 109.933 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.98 136.29 53.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.492 -0.322 . . . . 72.31 110.362 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.564 ' HD3' ' HA ' ' A' ' 73' ' ' ASP . 2.0 ttmm -73.24 139.78 46.44 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 116.505 -0.316 . . . . 70.15 110.629 178.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 72.1 t80 -56.92 -39.83 75.2 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.753 -0.658 . . . . 75.12 111.279 -177.649 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.446 ' HA3' ' OD1' ' A' ' 72' ' ' ASP . . . -63.64 -41.27 99.12 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.805 -0.712 . . . . 71.04 112.431 -179.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.3 t -66.87 -43.04 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.103 0.478 . . . . 64.42 110.246 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.86 -45.95 73.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.731 -0.668 . . . . 73.11 109.93 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -60.83 -42.16 97.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.858 -0.61 . . . . 64.21 111.433 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.5 ttp180 -66.45 -39.87 89.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.865 0.364 . . . . 63.01 110.786 -178.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -69.95 -43.61 71.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.542 -0.54 . . . . 72.22 109.542 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -64.45 -53.46 47.96 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.894 -0.593 . . . . 61.11 111.24 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -56.87 -25.96 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.026 0.38 . . . . 75.12 112.026 -170.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.8 m -66.76 -27.77 67.87 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.436 -0.347 . . . . 72.02 111.297 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.91 -22.21 6.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.106 0.479 . . . . 72.14 111.53 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.484 HD22 ' HA ' ' A' ' 41' ' ' ASN . 2.0 t-20 52.9 75.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.621 -1.172 . . . . 73.11 109.92 -167.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 59.6 mt -81.26 -42.41 20.72 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.441 -1.254 . . . . 74.4 109.435 -177.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -90.12 115.34 27.3 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.189 -0.914 . . . . 70.41 109.662 176.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -69.4 -31.02 69.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.365 0.602 . . . . 63.42 109.798 -176.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -135.93 83.82 2.04 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.656 -0.702 . . . . 53.53 109.606 172.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 58.9 tp -53.94 -48.46 70.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.897 -0.592 . . . . 73.4 111.678 -174.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 47.1 t -62.81 -39.48 85.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.329 -0.396 . . . . 62.03 110.568 179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.45 -42.81 95.64 Favored Glycine 0 N--CA 1.451 -0.302 0 CA-C-N 116.008 -0.542 . . . . 50.03 112.222 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.499 HG22 HD22 ' A' ' 10' ' ' LEU . 7.1 m -61.42 -41.09 96.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.428 . . . . 41.44 110.602 178.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 46' ' ' LEU . 95.7 mt -61.97 -45.77 92.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.879 -0.6 . . . . 61.13 110.636 177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 70.4 mmtt -58.19 -46.23 86.15 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.962 -0.563 . . . . 74.21 110.893 178.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.41 -46.65 88.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 74.12 111.667 -177.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.51 -27.12 60.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.557 -0.292 . . . . 63.41 111.423 -178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.2 tttt -73.53 -34.29 65.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.591 -0.522 . . . . 75.14 109.591 176.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -68.43 -30.86 69.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 73.1 110.91 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -89.18 6.77 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.374 -0.375 . . . . 75.01 111.325 178.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 9.8 mptt 59.59 26.29 15.3 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 123.099 0.56 . . . . 61.31 111.215 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.832 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.5 mt -80.75 -47.43 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.858 -0.61 . . . . 70.1 109.888 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.439 HG13 HG22 ' A' ' 58' ' ' ILE . 33.3 m -135.59 157.33 39.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 115.899 -0.591 . . . . 53.41 110.275 178.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 8.8 t -138.09 147.93 44.51 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.074 0.464 . . . . 64.02 109.788 172.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.703 ' HB3' HG13 ' A' ' 76' ' ' ILE . 20.8 p90 -142.6 136.17 14.33 Favored Pre-proline 0 C--N 1.316 -0.871 0 CA-C-N 115.643 -0.708 . . . . 75.31 109.656 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 61' ' ' TYR . 36.2 Cg_exo -61.96 140.06 82.7 Favored 'Trans proline' 0 N--CA 1.461 -0.383 0 C-N-CA 122.63 2.22 . . . . 65.04 111.502 175.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 83.58 131.35 1.88 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.683 -0.77 . . . . 73.25 112.051 -177.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -108.27 -8.35 15.72 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.937 0.398 . . . . 72.33 111.111 -178.14 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 62.1 tp -142.26 138.33 31.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.996 -0.547 . . . . 62.2 109.937 178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.48 ' H ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -140.32 151.15 44.82 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.349 -0.387 . . . . 74.41 110.329 179.408 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.406 ' N ' HD12 ' A' ' 67' ' ' LEU . 6.3 mp -102.92 -79.52 0.53 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.065 -0.516 . . . . 64.11 110.12 178.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 23.4 tm0? -161.14 122.25 2.86 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.58 -0.526 . . . . 72.43 109.58 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 83.99 -42.79 3.1 Favored Glycine 0 C--O 1.224 -0.509 0 C-N-CA 121.043 -0.599 . . . . 51.22 113.609 175.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.7 p -61.39 -15.91 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 N-CA-C 112.835 0.679 . . . . 64.51 112.835 -174.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.411 ' O ' ' HB3' ' A' ' 30' ' ' PHE . 9.0 t-80 -108.22 11.97 26.96 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 121.991 -0.443 . . . . 72.1 110.409 -177.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.446 ' OD1' ' HA3' ' A' ' 31' ' ' GLY . 4.2 t70 -63.83 -39.3 93.91 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 112.876 0.695 . . . . 64.54 112.876 -173.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.564 ' HA ' ' HD3' ' A' ' 29' ' ' LYS . 7.4 p-10 -93.29 9.24 37.05 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.726 0.298 . . . . 74.0 111.759 -174.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.4 t -87.64 124.57 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.824 0.345 . . . . 75.41 110.375 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 55.8 m-20 -90.83 136.05 33.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.931 -0.577 . . . . 74.22 111.308 -177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.703 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.6 mp -96.45 120.37 45.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 N-CA-C 108.691 -0.855 . . . . 55.04 108.691 173.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.8 mt -103.09 132.34 49.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 120.694 0.283 . . . . 74.44 111.325 -173.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.8 tp -80.43 115.89 20.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.852 -0.613 . . . . 73.43 110.159 178.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -94.5 -42.53 8.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.11 -0.495 . . . . 73.44 110.086 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.832 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 8.4 tt0 -122.07 131.67 54.1 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.422 -0.808 . . . . 74.35 109.223 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -99.76 115.89 30.58 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.129 0.49 . . . . 71.05 110.307 -178.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 52.3 tp -100.24 -40.93 7.3 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.493 -0.776 . . . . 73.55 111.293 -177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -71.79 136.31 47.03 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.967 -0.56 . . . . 74.34 111.046 -173.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -86.34 81.57 8.31 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.764 -0.653 . . . . 42.01 110.098 -178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--O 1.249 1.048 0 N-CA-C 109.152 -0.685 . . . . 75.51 109.152 177.134 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptt? . . . . . 0 N--CA 1.484 1.256 0 CA-C-O 120.583 0.23 . . . . 74.05 111.21 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -103.11 109.46 21.04 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.39 . . . . 63.2 110.399 -176.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 7' ' ' VAL . 14.4 p -72.1 -29.16 31.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.927 -0.579 . . . . 72.31 110.905 -177.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -60.7 -41.07 94.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.16 0.505 . . . . 73.45 110.804 -179.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 48.7 t-80 -65.2 -32.97 74.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.089 -0.505 . . . . 74.23 110.187 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -68.36 -35.69 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 75.11 110.168 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.468 HG13 ' HB2' ' A' ' 53' ' ' ALA . 61.2 t -62.3 -48.71 87.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.439 177.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.631 ' O ' HG22 ' A' ' 11' ' ' VAL . 75.3 m-20 -67.66 -35.68 79.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.039 -0.528 . . . . 53.31 110.277 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.557 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.4 tp -61.47 -40.78 95.76 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.871 -0.418 . . . . 64.02 109.871 174.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.57 HD22 HG22 ' A' ' 49' ' ' THR . 57.2 tp -56.72 -41.34 77.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.646 -0.706 . . . . 72.13 110.8 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.631 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.56 -33.16 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.98 0.419 . . . . 75.32 110.25 -179.575 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.746 ' HA ' ' HG3' ' A' ' 83' ' ' GLU . 40.9 mt-10 -72.45 -38.81 68.19 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 72.34 110.131 177.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 7.8 mm-40 -61.86 -47.51 84.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.848 -0.615 . . . . 74.11 110.898 178.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.435 HG22 ' HB3' ' A' ' 26' ' ' LEU . 72.0 mt -62.27 -33.18 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.037 0.446 . . . . 61.12 110.6 178.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.07 -39.9 82.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.404 -0.362 . . . . 70.52 111.939 178.335 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 17' ' ' LEU . 31.5 ptt85 -87.31 -41.23 13.8 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 120.977 -0.289 . . . . 63.43 111.753 -176.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.437 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 4.3 tp -90.88 -25.05 20.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.883 0.373 . . . . 74.42 111.358 -173.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -91.04 -175.7 43.85 Favored Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.765 -0.731 . . . . 74.35 111.997 -178.438 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.3 t -128.92 155.82 44.7 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 110.019 -0.363 . . . . 43.11 110.019 -178.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 mmmt -77.28 137.53 38.85 Favored 'General case' 0 CA--C 1.503 -0.838 0 CA-C-O 121.48 0.657 . . . . 71.42 109.871 172.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -88.77 165.45 14.69 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-N 114.372 -1.285 . . . . 61.14 109.965 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.42 -14.19 61.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.849 0.833 . . . . 75.42 108.936 167.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.18 -17.92 56.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.117 -1.402 . . . . 65.32 110.86 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.14 -1.81 65.23 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.636 -0.792 . . . . 73.54 113.518 175.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 36.9 mtmm -112.11 168.02 9.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 117.459 0.63 . . . . 72.3 110.555 177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.435 ' HB3' HG22 ' A' ' 14' ' ' ILE . 3.6 mm? -85.27 140.99 30.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.165 -0.471 . . . . 73.44 111.029 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -144.54 147.08 32.77 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.96 -0.564 . . . . 41.02 110.474 173.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 10.0 p -145.72 145.75 20.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.972 -0.558 . . . . 70.4 109.844 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.62 ' HB2' HG23 ' A' ' 32' ' ' VAL . 72.5 mmtt -71.67 144.29 49.42 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.111 0.482 . . . . 75.24 110.758 179.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -63.29 -41.06 98.93 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.188 -0.914 . . . . 73.41 109.964 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.98 -34.16 87.97 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.801 -0.714 . . . . 54.05 112.493 178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 29' ' ' LYS . 99.6 t -72.37 -49.82 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.756 0.313 . . . . 75.24 110.77 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.3 tt -61.75 -45.67 92.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.979 -0.555 . . . . 64.25 109.799 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -64.77 -32.67 74.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.619 -0.719 . . . . 75.52 110.861 -179.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 48.1 ttt85 -66.25 -45.54 80.23 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.577 -0.283 . . . . 44.52 111.484 -179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -70.54 -36.89 73.95 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.769 -0.373 . . . . 74.15 110.346 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -64.98 -38.07 89.75 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.299 -0.409 . . . . 54.22 110.52 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.426 ' HE3' ' HB3' ' A' ' 38' ' ' LYS . 22.6 mmmt -64.89 -16.18 62.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.845 0.355 . . . . 74.03 111.395 175.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 42.9 t -87.65 -47.33 8.76 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.286 -0.416 . . . . 44.34 110.98 179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -104.29 -15.62 15.41 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.866 0.691 . . . . 61.44 112.866 -172.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 14.5 m120 57.04 64.47 1.63 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.605 0.717 . . . . 61.32 109.847 -173.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD13 ' OE2' ' A' ' 13' ' ' GLU . 31.0 mt -81.47 -48.04 12.38 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 114.859 -1.064 . . . . 74.53 110.759 -173.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' HZ ' ' HG3' ' A' ' 13' ' ' GLU . 57.9 m-85 -100.05 134.16 43.38 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.584 -0.735 . . . . 74.31 110.095 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.22 -42.79 71.81 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.038 0.447 . . . . 65.52 110.106 179.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -136.43 92.97 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.558 -0.746 . . . . 70.21 109.552 174.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.24 -41.01 87.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.004 -0.544 . . . . 74.15 111.728 -173.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.29 -45.37 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.681 0.277 . . . . 54.01 110.485 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -64.04 -37.06 94.06 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 121.015 -0.612 . . . . 72.45 112.295 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.57 HG22 HD22 ' A' ' 10' ' ' LEU . 34.9 m -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.811 0.338 . . . . 74.21 110.588 176.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.51 -49.38 77.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.055 -0.521 . . . . 71.53 110.571 177.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.494 ' NZ ' ' HG3' ' A' ' 64' ' ' GLU . 41.4 tttp -60.71 -40.34 91.91 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.14 -0.936 . . . . 75.44 111.473 -178.239 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -61.24 -50.29 73.67 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.194 0.521 . . . . 70.41 110.703 178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.72 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -67.2 -31.43 71.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.574 -0.739 . . . . 54.34 111.131 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 86.0 tttt -62.97 -46.11 89.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.717 0.294 . . . . 73.4 110.619 178.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 12.3 mmt180 -73.86 -24.36 59.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 72.15 111.444 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.541 ' HB3' HG12 ' A' ' 58' ' ' ILE . 65.9 ttt180 -85.42 4.67 34.41 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-O 120.885 0.374 . . . . 65.05 110.448 178.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 58.59 30.58 20.03 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.93 -0.577 . . . . 73.33 111.642 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.72 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 42.4 mm -82.23 -50.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.352 -0.61 . . . . 61.41 109.352 174.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.1 m -134.5 171.76 17.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.334 -0.848 . . . . 70.34 110.024 -178.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.703 ' HB ' HD11 ' A' ' 79' ' ' LEU . 6.6 t -142.6 147.53 35.98 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.105 0.479 . . . . 75.14 110.032 174.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 6.9 p90 -162.0 149.7 11.89 Favored Pre-proline 0 C--N 1.317 -0.807 0 N-CA-C 107.976 -1.12 . . . . 75.12 107.976 178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -61.26 136.79 66.61 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 121.955 1.77 . . . . 73.32 111.921 -176.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 51.1 -159.27 1.99 Allowed Glycine 0 N--CA 1.449 -0.457 0 CA-C-N 115.576 -0.738 . . . . 60.42 113.094 -178.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' HG3' ' NZ ' ' A' ' 51' ' ' LYS . 2.2 pm0 -143.99 16.43 1.74 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.845 0.831 . . . . 75.14 109.085 171.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 1.7 pt? -144.25 102.47 3.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 114.564 -1.198 . . . . 73.12 109.022 177.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.609 ' HB3' ' HB3' ' A' ' 71' ' ' HIS . 3.9 mm? -97.88 149.58 22.23 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.722 -0.672 . . . . 75.45 111.033 -175.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mp -96.16 163.88 12.92 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.79 -0.641 . . . . 63.43 109.594 175.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -66.21 142.27 57.77 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.409 -0.359 . . . . 63.24 110.659 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 84.4 -52.72 4.75 Favored Glycine 0 N--CA 1.453 -0.191 0 C-N-CA 121.14 -0.552 . . . . 63.43 113.51 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 25.7 m -69.52 -24.02 26.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.015 0.436 . . . . 50.1 111.494 -174.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.609 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 2.5 p-80 -88.15 -9.36 53.4 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.275 -0.42 . . . . 65.52 110.967 -173.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.85 -36.16 75.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.004 0.372 . . . . 71.41 112.004 -170.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -93.61 8.96 38.8 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.131 0.491 . . . . 75.1 110.81 -178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.518 ' CG2' ' HA ' ' A' ' 71' ' ' HIS . 58.7 t -74.72 123.41 30.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.777 0.322 . . . . 74.32 110.589 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -92.69 114.87 27.54 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.868 -0.606 . . . . 64.23 109.755 175.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.446 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.7 mp -85.85 121.86 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 109.187 -0.672 . . . . 63.31 109.187 178.191 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 51.4 mt -103.1 130.01 53.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 116.062 -0.517 . . . . 63.32 111.52 -172.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 29.6 tp -80.28 112.61 17.77 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.397 -0.819 . . . . 62.33 109.286 176.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.703 HD11 ' HB ' ' A' ' 60' ' ' THR . 82.6 mt -85.1 -35.98 21.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.843 0.354 . . . . 71.41 110.861 -177.043 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 7.5 tt0 -116.94 131.45 56.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.003 -0.544 . . . . 73.04 109.723 179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -97.79 107.26 19.72 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.321 0.581 . . . . 74.32 110.335 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 82' ' ' LEU . 35.0 tp -108.02 -8.65 15.81 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.268 -0.878 . . . . 71.01 110.527 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.746 ' HG3' ' HA ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -95.5 150.71 20.02 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 116.204 -0.453 . . . . 75.11 110.718 -169.351 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -131.54 -37.45 1.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.436 -0.347 . . . . 74.35 111.486 -176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 9.2 m170 . . . . . 0 C--O 1.25 1.103 0 CA-C-O 117.994 -1.003 . . . . 71.11 109.291 -165.411 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 ttt . . . . . 0 N--CA 1.483 1.204 0 N-CA-C 110.302 -0.259 . . . . 73.55 110.302 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.0 t30 -109.52 107.25 17.3 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.181 -0.674 . . . . 73.33 109.181 176.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 7' ' ' VAL . 8.4 p -66.0 -31.64 54.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 54.2 112.029 -169.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -58.43 -37.29 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.098 0.475 . . . . 71.14 110.993 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 -75.36 -33.94 61.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.009 -0.541 . . . . 74.42 110.119 178.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -72.73 -33.47 66.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.647 -0.706 . . . . 73.31 111.478 -177.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.9 t -66.3 -48.16 81.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.704 0.287 . . . . 45.33 110.577 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -59.39 -41.03 88.43 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.872 0.368 . . . . 63.54 110.48 175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.678 HD21 ' HB3' ' A' ' 42' ' ' LEU . 56.7 tp -58.17 -46.85 85.02 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.507 -0.77 . . . . 73.13 110.033 177.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.469 HD21 HD23 ' A' ' 50' ' ' LEU . 56.2 tp -56.51 -47.0 80.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.501 -0.772 . . . . 74.21 110.607 177.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 7' ' ' VAL . 74.6 t -56.03 -45.84 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.824 -0.626 . . . . 64.05 111.436 178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 7.8 mm-40 -67.77 -38.6 83.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.224 -0.443 . . . . 62.44 111.505 -179.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 63.8 mm-40 -63.62 -41.11 98.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.824 0.345 . . . . 73.34 110.231 177.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 81.5 mt -63.59 -33.96 64.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.061 -0.518 . . . . 72.32 110.284 176.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.653 ' HA ' HD13 ' A' ' 26' ' ' LEU . 44.5 m170 -60.11 -46.49 89.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.059 -0.519 . . . . 70.25 111.354 178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' NH1' HD13 ' A' ' 17' ' ' LEU . 6.3 ppt_? -87.2 -27.22 23.13 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.489 0.551 . . . . 74.52 112.489 -172.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.516 HD13 ' NH1' ' A' ' 16' ' ' ARG . 6.4 tp -104.49 -2.79 24.8 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.012 0.375 . . . . 61.04 112.012 -174.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -104.88 164.43 14.42 Favored Glycine 0 N--CA 1.442 -0.904 0 C-N-CA 120.347 -0.93 . . . . 73.15 113.484 -174.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.0 t -121.61 155.85 34.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.79 -0.818 . . . . 61.11 108.79 176.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -84.46 136.1 33.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.423 0.63 . . . . 75.35 112.2 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.695 HD21 ' HB3' ' A' ' 27' ' ' SER . 41.0 m-80 -75.9 -179.19 4.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 114.695 -1.139 . . . . 73.1 110.4 176.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.53 -16.85 62.92 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.22 0.533 . . . . 53.21 110.11 174.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -78.73 -16.94 56.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.625 -0.716 . . . . 73.23 109.803 175.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.27 -1.67 70.18 Favored Glycine 0 N--CA 1.452 -0.238 0 CA-C-N 115.733 -0.667 . . . . 74.33 112.488 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.474 ' HD3' ' HA ' ' A' ' 79' ' ' LEU . 57.1 mttp -92.1 150.75 20.77 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.589 0.233 . . . . 63.33 110.511 177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 15' ' ' HIS . 60.0 mt -77.74 142.58 38.63 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.38 0.61 . . . . 75.41 111.601 -178.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.695 ' HB3' HD21 ' A' ' 21' ' ' ASN . 6.5 p -135.31 143.28 46.1 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 114.994 -1.003 . . . . 73.42 110.342 176.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG11 HG12 ' A' ' 14' ' ' ILE . 14.8 p -128.11 144.75 36.76 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 N-CA-C 109.655 -0.498 . . . . 75.3 109.655 178.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.43 ' HB2' HG12 ' A' ' 32' ' ' VAL . 27.2 mmmt -77.51 149.59 34.94 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.254 0.55 . . . . 72.43 110.803 -176.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -67.13 -40.81 86.87 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.105 -0.952 . . . . 73.44 110.47 -178.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.57 -46.66 89.49 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.891 -0.671 . . . . 34.44 112.91 -176.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 29' ' ' LYS . 13.7 p -66.96 -39.87 84.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 72.23 110.794 -177.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 tt -69.36 -46.08 67.83 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.181 -0.463 . . . . 64.12 110.17 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -61.3 -37.5 83.43 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.036 -0.529 . . . . 72.45 110.633 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -70.21 -46.06 65.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.197 -0.456 . . . . 74.44 110.866 176.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -65.28 -41.24 94.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.741 -0.663 . . . . 74.54 111.721 -172.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -63.02 -35.79 81.41 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 120.882 -0.327 . . . . 72.43 111.232 -179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -57.24 -18.75 17.58 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.581 0.586 . . . . 72.11 112.581 -176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.3 m -87.61 -21.0 25.6 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.085 0.402 . . . . 72.43 112.085 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -119.63 -28.6 5.25 Favored 'General case' 0 C--N 1.328 -0.331 0 O-C-N 122.143 -0.348 . . . . 60.4 111.804 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 12.7 m120 57.71 55.26 5.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.505 0.669 . . . . 75.54 110.745 -177.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.678 ' HB3' HD21 ' A' ' 9' ' ' LEU . 86.9 mt -80.57 -39.65 27.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.231 -0.895 . . . . 60.55 109.016 178.12 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -105.23 97.28 7.15 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.049 -0.978 . . . . 73.55 109.624 178.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.06 -29.83 69.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.389 0.614 . . . . 75.13 110.314 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -134.54 85.17 2.16 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.453 -0.794 . . . . 62.4 109.241 173.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.438 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 56.7 tp -55.72 -42.57 75.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.875 -0.602 . . . . 75.22 111.321 -175.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.6 t -61.61 -37.02 76.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.067 0.46 . . . . 74.2 110.233 179.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.62 -47.5 61.68 Favored Glycine 0 N--CA 1.448 -0.533 0 CA-C-N 115.82 -0.627 . . . . 74.22 112.033 178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 7.4 m -61.67 -39.43 91.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.664 0.269 . . . . 75.45 110.62 178.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD23 HD21 ' A' ' 10' ' ' LEU . 85.0 mt -61.42 -48.08 82.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.325 -0.398 . . . . 65.23 110.579 176.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -62.4 -39.16 92.34 Favored 'General case' 0 CA--C 1.52 -0.173 0 CA-C-N 116.387 -0.369 . . . . 62.25 111.113 178.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.05 -52.99 61.46 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.193 0.52 . . . . 63.53 110.917 177.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.568 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -72.91 -31.67 64.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.657 -0.701 . . . . 55.21 111.167 -178.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 82.9 tttt -65.44 -40.7 93.6 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.017 0.437 . . . . 72.11 110.129 177.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -73.54 -22.66 60.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.938 -0.574 . . . . 75.22 111.455 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -91.01 2.17 56.52 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.433 -0.349 . . . . 72.44 110.873 175.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp 62.16 27.54 16.56 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.647 -0.706 . . . . 73.35 110.856 178.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.6 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 85.6 mt -86.87 -37.99 11.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.197 -0.911 . . . . 71.32 109.715 178.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 26.3 m -135.09 167.99 24.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.809 -0.632 . . . . 73.14 109.626 176.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.474 ' HB ' HD11 ' A' ' 79' ' ' LEU . 1.9 t -156.93 152.85 27.22 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 109.84 -0.43 . . . . 70.23 109.84 172.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' HB3' ' HA ' ' A' ' 76' ' ' ILE . 26.0 p90 -158.01 146.06 13.94 Favored Pre-proline 0 C--N 1.316 -0.869 0 N-CA-C 109.005 -0.739 . . . . 63.14 109.005 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.894 ' HD2' HG13 ' A' ' 74' ' ' VAL . 26.7 Cg_exo -63.57 139.27 69.2 Favored 'Trans proline' 0 N--CA 1.462 -0.374 0 C-N-CA 122.267 1.978 . . . . 71.5 111.792 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 98.46 148.82 24.08 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.727 -0.749 . . . . 75.42 112.212 -178.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -123.34 -34.81 3.05 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.684 -0.487 . . . . 73.45 109.684 179.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mp -111.94 144.93 40.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.646 -0.706 . . . . 75.51 110.184 177.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 pp -165.4 163.63 19.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.887 -0.597 . . . . 50.54 109.753 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 67' ' ' LEU . 1.9 tm? -148.0 -56.68 0.23 Allowed 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.961 -0.385 . . . . 70.52 109.961 178.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -101.12 167.49 10.19 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.898 0.38 . . . . 72.53 110.922 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.75 67.18 2.95 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.861 -0.609 . . . . 75.22 112.63 -178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 13.3 p -98.44 -13.96 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.902 0.858 . . . . 74.13 109.697 172.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -110.05 20.2 18.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.216 -0.902 . . . . 74.52 111.991 -172.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.49 -32.12 7.4 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 122.836 0.454 . . . . 72.03 111.355 178.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' HA ' ' HE3' ' A' ' 29' ' ' LYS . 33.3 t70 -85.54 0.51 52.23 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 116.036 -0.529 . . . . 73.31 111.608 -176.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.894 HG13 ' HD2' ' A' ' 62' ' ' PRO . 38.5 t -74.61 121.14 25.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 109.416 -0.587 . . . . 60.43 109.416 174.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.525 ' HB3' ' HB2' ' A' ' 27' ' ' SER . 3.0 m-20 -89.22 120.65 30.77 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.644 -0.707 . . . . 71.02 110.461 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.496 ' N ' HD12 ' A' ' 76' ' ' ILE . 2.5 mp -86.1 108.84 17.97 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.341 -0.985 . . . . 65.4 108.341 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.475 HG12 ' HB3' ' A' ' 27' ' ' SER . 61.5 mt -95.38 127.99 46.94 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 115.621 -0.718 . . . . 65.05 110.826 -172.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 38.6 tp -80.45 110.54 16.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.507 -0.77 . . . . 64.15 109.511 177.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HA ' ' HD3' ' A' ' 25' ' ' LYS . 86.2 mt -87.62 -33.73 18.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.857 -0.61 . . . . 63.31 110.666 -176.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.6 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 24.1 tt0 -131.23 132.3 44.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.022 -0.536 . . . . 72.53 110.403 -178.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.464 ' HB2' ' ND1' ' A' ' 84' ' ' HIS . 2.5 m-20 -98.84 97.87 9.02 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.605 -0.517 . . . . 74.23 109.605 176.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -60.47 -57.52 12.39 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 108.747 -0.835 . . . . 71.42 108.747 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -85.08 88.29 7.45 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.878 -1.156 . . . . 74.02 107.878 168.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.464 ' ND1' ' HB2' ' A' ' 81' ' ' ASP . 9.3 t60 -83.37 78.13 9.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.565 -0.743 . . . . 64.32 111.457 -168.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 5.7 m80 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.665 -0.698 . . . . 72.44 109.577 174.55 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 120.292 0.091 . . . . 71.01 110.835 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.693 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 30.8 t30 -98.01 105.77 17.97 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.46 -0.57 . . . . 72.15 109.46 177.11 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.2 p -67.04 -34.29 68.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 61.33 112.745 -166.086 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -57.56 -42.28 82.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.722 0.296 . . . . 73.13 111.194 -176.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 45.5 t-80 -79.84 -29.63 40.16 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 120.765 -0.374 . . . . 74.22 110.606 179.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.693 ' HG3' ' O ' ' A' ' 2' ' ' ASN . 51.9 mt-10 -71.19 -29.02 64.65 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.961 0.41 . . . . 75.43 110.585 -178.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 3' ' ' VAL . 81.5 t -68.43 -41.58 83.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.763 -0.458 . . . . 54.21 109.763 172.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.502 ' O ' HG22 ' A' ' 11' ' ' VAL . 5.0 m-20 -61.92 -36.56 81.71 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.948 0.404 . . . . 52.22 110.234 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.515 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 63.0 tp -64.6 -42.3 95.65 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 73.21 109.536 175.584 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.579 HD21 HD23 ' A' ' 50' ' ' LEU . 56.9 tp -56.73 -49.7 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.433 -0.803 . . . . 75.35 110.681 177.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 7' ' ' VAL . 2.9 m -67.43 -30.47 49.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.552 -0.295 . . . . 65.41 110.537 -179.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.3 OUTLIER -66.3 -45.13 81.43 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.875 0.369 . . . . 74.14 110.017 179.419 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 19.9 mm-40 -60.98 -39.61 90.26 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.171 -0.468 . . . . 54.53 109.887 177.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' LEU . 68.3 mt -66.19 -33.87 66.41 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 CA-C-N 116.239 -0.437 . . . . 64.44 110.742 176.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.571 ' HA ' HD13 ' A' ' 26' ' ' LEU . 64.9 m170 -55.03 -48.5 73.34 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 120.927 0.394 . . . . 74.35 110.632 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.7 mtm-85 -87.38 -45.41 10.58 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.999 -0.546 . . . . 74.44 112.129 -174.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.0 mt -79.86 -29.74 40.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.629 0.252 . . . . 73.22 111.43 -174.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.76 162.07 31.24 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.572 -0.823 . . . . 63.41 112.425 -175.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.4 m -118.37 155.72 30.2 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.932 -0.395 . . . . 63.44 109.932 178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.1 mttp -81.51 124.75 29.75 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.994 0.426 . . . . 62.44 110.257 176.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -78.53 175.02 10.73 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.109 -0.95 . . . . 73.32 109.441 178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.33 -9.28 39.57 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.534 0.683 . . . . 73.41 110.015 172.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 t0 -84.22 -0.02 50.61 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-N 114.925 -1.034 . . . . 75.24 109.817 176.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.95 24.93 75.87 Favored Glycine 0 N--CA 1.45 -0.395 0 CA-C-N 115.647 -0.706 . . . . 71.44 112.849 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.0 mtmm -135.25 151.16 50.33 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.735 -0.273 . . . . 73.31 111.013 -178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.571 HD13 ' HA ' ' A' ' 15' ' ' HIS . 82.7 mt -76.57 136.5 39.26 Favored 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.755 -0.657 . . . . 74.24 110.913 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.8 m -143.86 147.35 33.93 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 116.315 -0.402 . . . . 71.4 110.473 174.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.2 p -148.41 136.79 14.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.078 -0.712 . . . . 62.3 109.078 -179.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 39.9 mtmt -70.69 143.32 51.38 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.129 0.49 . . . . 73.11 111.22 -177.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 71' ' ' HIS . 7.9 t80 -56.16 -41.6 75.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.16 -0.927 . . . . 71.21 110.286 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.86 -31.44 72.01 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.15 -0.548 . . . . 61.02 113.304 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.56 -51.01 24.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.918 0.389 . . . . 64.42 110.609 -179.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 tt -65.64 -41.78 92.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.903 -0.59 . . . . 73.5 110.225 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -57.13 -38.12 73.0 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.069 -0.514 . . . . 75.11 111.025 -178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 -61.28 -50.36 73.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.135 -0.484 . . . . 74.03 110.749 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -69.58 -41.86 75.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.317 -0.402 . . . . 65.34 110.369 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -61.48 -41.73 97.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.849 -0.614 . . . . 62.32 111.628 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.975 ' HA ' ' HE3' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.9 -19.78 63.4 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.845 -0.342 . . . . 74.12 111.643 -178.31 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.9 t -88.06 -47.22 8.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.495 -0.321 . . . . 73.25 110.672 177.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.96 -22.52 23.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.322 0.49 . . . . 63.31 112.322 -173.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.477 HD22 ' HA ' ' A' ' 41' ' ' ASN . 3.5 m120 60.0 62.33 1.67 Allowed 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 121.642 0.734 . . . . 54.12 110.34 -172.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -80.28 -48.05 13.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.992 -1.003 . . . . 75.54 109.759 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 10' ' ' LEU . 34.6 m-85 -114.55 103.52 11.1 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.289 -0.869 . . . . 55.42 109.271 179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -52.74 -44.31 66.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.968 -0.56 . . . . 75.1 110.53 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.31 84.52 2.23 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.844 -0.616 . . . . 45.15 109.584 172.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.49 -42.0 77.56 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.759 -0.655 . . . . 74.21 111.227 -176.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.585 ' O ' ' HG2' ' A' ' 51' ' ' LYS . 7.4 p -61.35 -40.5 86.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 72.42 110.721 179.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.03 -42.98 94.34 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 120.919 -0.657 . . . . 72.22 112.279 -178.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.49 HG22 HD22 ' A' ' 10' ' ' LEU . 8.8 m -61.3 -39.62 91.14 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 121.034 0.445 . . . . 72.55 110.499 177.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.579 HD23 HD21 ' A' ' 10' ' ' LEU . 95.0 mt -67.78 -43.03 80.71 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.002 -0.545 . . . . 70.33 110.822 178.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.585 ' HG2' ' O ' ' A' ' 47' ' ' VAL . 13.9 mmmm -58.06 -45.67 86.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 73.43 110.778 178.558 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.1 -52.2 66.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.718 -0.674 . . . . 74.43 110.834 178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HB2' HG13 ' A' ' 7' ' ' VAL . . . -68.35 -36.44 79.25 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.065 -0.516 . . . . 31.15 111.54 -176.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 83.8 tttt -63.71 -46.46 85.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.953 0.406 . . . . 75.51 110.525 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.6 mtt180 -78.27 -19.23 54.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.258 -0.428 . . . . 74.3 111.789 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' HD3' HD11 ' A' ' 58' ' ' ILE . 27.1 ttt180 -85.07 -0.09 53.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 109.322 -0.622 . . . . 72.41 109.322 172.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 63.52 28.05 15.2 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 114.727 -1.124 . . . . 72.51 111.843 176.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.719 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 87.1 mt -86.27 -41.12 14.88 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 115.247 -0.888 . . . . 74.42 109.902 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.465 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.0 m -131.57 167.37 26.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.14 -0.482 . . . . 63.3 110.141 178.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.404 ' HB ' HD11 ' A' ' 79' ' ' LEU . 12.1 t -150.02 152.64 35.19 Favored 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.308 -0.627 . . . . 70.35 109.308 174.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -157.75 150.54 18.21 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.02 -0.536 . . . . 64.12 109.691 177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.4 ' HG2' HG13 ' A' ' 74' ' ' VAL . 19.3 Cg_endo -62.42 139.54 77.31 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.378 2.052 . . . . 63.31 111.923 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 67.14 -153.71 52.89 Favored Glycine 0 N--CA 1.447 -0.595 0 CA-C-N 115.697 -0.683 . . . . 72.42 112.272 -175.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -164.53 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.312 0.577 . . . . 65.13 109.966 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.8 mt -93.73 96.02 9.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.713 -0.676 . . . . 65.23 109.421 177.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.561 ' HB3' ' HB3' ' A' ' 71' ' ' HIS . 83.6 mt -106.29 126.82 52.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.013 -0.539 . . . . 73.32 111.285 -174.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.766 ' HG ' ' H ' ' A' ' 68' ' ' GLN . 15.3 tp -81.8 -171.93 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.907 -0.588 . . . . 74.34 109.689 177.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.766 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 17.0 tm0? -68.97 -68.07 0.43 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.751 0.31 . . . . 73.02 111.535 -172.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.03 -8.9 85.98 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 74.13 113.972 -170.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.8 p -92.37 -19.1 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 117.271 0.536 . . . . 61.45 111.619 -175.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.561 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 1.4 p-80 -82.42 3.66 27.24 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.533 0.568 . . . . 73.24 112.533 -170.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.421 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 19.8 t70 -71.94 -31.06 65.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.715 -0.394 . . . . 70.22 111.174 -176.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -87.2 9.09 21.22 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.152 -0.476 . . . . 73.54 110.835 -178.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.45 HG21 HD13 ' A' ' 66' ' ' LEU . 20.9 t -90.45 115.34 29.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.074 -0.512 . . . . 75.52 110.032 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -96.65 118.35 32.95 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.072 -0.714 . . . . 70.41 109.072 177.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 15.4 mm -86.12 108.51 17.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.839 -0.8 . . . . 73.4 108.839 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 67.5 mt -100.01 124.97 53.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.554 -0.748 . . . . 63.34 111.191 -171.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 31.2 tp -80.02 116.97 20.44 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.613 -0.721 . . . . 74.31 110.131 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.404 HD11 ' HB ' ' A' ' 60' ' ' THR . 94.3 mt -93.71 -40.06 10.44 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.199 0.523 . . . . 74.25 110.431 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.719 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 0.0 OUTLIER -123.35 131.47 53.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.634 -0.712 . . . . 75.35 109.498 -178.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD2' ' HA ' ' A' ' 84' ' ' HIS . 39.7 t0 -117.44 95.28 4.89 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.439 -0.578 . . . . 73.14 109.439 -178.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 54.0 tp -58.91 -66.74 0.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.555 -0.748 . . . . 74.01 111.319 -176.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -88.29 83.33 6.92 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.835 -0.802 . . . . 71.35 108.835 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.451 ' HA ' ' OD2' ' A' ' 81' ' ' ASP . 84.0 t60 -85.31 107.8 17.5 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.032 -0.986 . . . . 75.14 111.495 -168.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.385 -0.816 . . . . 71.03 109.285 176.212 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.7 tpt . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 120.387 0.137 . . . . 75.33 110.757 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.526 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 9.6 t30 -109.23 134.43 51.77 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.877 -0.416 . . . . 64.41 109.877 -178.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.519 ' O ' HG23 ' A' ' 7' ' ' VAL . 13.5 p -54.28 -35.44 30.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 N-CA-C 113.13 0.789 . . . . 73.21 113.13 -168.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -63.04 -37.07 85.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.741 0.305 . . . . 74.44 110.982 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 49.8 m80 -79.79 -32.88 40.86 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.397 -0.365 . . . . 74.31 110.759 178.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.526 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 8.6 mm-40 -58.22 -45.19 88.1 Favored 'General case' 0 N--CA 1.463 0.189 0 N-CA-C 109.679 -0.489 . . . . 75.44 109.679 178.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 3' ' ' VAL . 57.8 t -62.97 -43.82 99.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 CA-C-N 115.671 -0.695 . . . . 73.13 111.557 -178.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.516 ' O ' HG22 ' A' ' 11' ' ' VAL . 87.2 m-20 -67.82 -32.71 73.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.89 0.376 . . . . 72.11 110.353 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.4 tp -65.11 -36.82 85.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.662 -0.496 . . . . 74.44 109.662 175.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.692 HD22 HG22 ' A' ' 49' ' ' THR . 57.7 tp -58.42 -45.84 87.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.629 -0.714 . . . . 71.13 110.57 176.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 8' ' ' ASN . 1.0 OUTLIER -67.57 -33.82 64.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 110.034 -0.358 . . . . 70.12 110.034 -179.187 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 1.9 mm-40 -65.33 -38.98 91.78 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.348 -0.387 . . . . 65.03 110.961 178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -66.02 -43.62 87.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.514 176.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.502 HG21 ' HB2' ' A' ' 78' ' ' LEU . 64.9 mt -62.67 -34.05 63.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.114 -0.494 . . . . 72.42 110.395 176.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.42 ' HE1' ' O ' ' A' ' 83' ' ' GLU . 63.8 m170 -57.39 -52.23 66.19 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.439 -0.346 . . . . 44.03 111.138 176.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.3 ptt180 -86.96 -44.15 11.84 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 74.25 112.618 -171.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -87.71 -12.51 45.08 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 111.662 0.245 . . . . 74.12 111.662 -175.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -90.46 167.5 32.61 Favored Glycine 0 N--CA 1.443 -0.872 0 C-N-CA 120.593 -0.813 . . . . 74.41 112.965 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -125.12 159.1 32.26 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.377 -0.601 . . . . 64.14 109.377 177.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -74.25 127.9 34.16 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.784 0.802 . . . . 51.54 111.207 -178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -87.07 169.75 12.13 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.243 -1.344 . . . . 72.31 108.938 177.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.41 -32.57 64.96 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 112.605 0.594 . . . . 72.2 112.605 -172.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -87.82 5.73 38.79 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 111.953 0.353 . . . . 72.12 111.953 -175.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.26 19.97 61.47 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.323 -0.941 . . . . 61.04 111.222 -176.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -94.15 164.56 13.01 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.335 -0.617 . . . . 74.24 109.335 178.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -103.13 120.8 41.36 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.652 -0.499 . . . . 73.24 109.652 176.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.514 ' OG ' ' HB3' ' A' ' 75' ' ' ASP . 29.0 t -124.97 143.49 50.86 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 120.797 0.332 . . . . 75.12 111.066 -175.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 8.8 p -147.08 140.37 19.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.849 -0.614 . . . . 42.33 110.195 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HD2' ' O ' ' A' ' 72' ' ' ASP . 37.4 mtmt -70.52 148.27 48.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.194 0.521 . . . . 73.42 111.407 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.97 -40.41 89.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.354 -0.839 . . . . 73.23 111.2 178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.412 ' H ' ' HA ' ' A' ' 72' ' ' ASP . . . -62.72 -44.5 97.41 Favored Glycine 0 CA--C 1.517 0.178 0 C-N-CA 121.076 -0.583 . . . . 54.31 112.754 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 47.9 t -65.29 -43.75 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.021 0.438 . . . . 71.13 110.434 -179.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.486 HD21 ' HE2' ' A' ' 43' ' ' PHE . 4.7 tt -64.49 -45.8 85.75 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.714 -0.675 . . . . 73.35 109.845 179.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -58.64 -42.53 88.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.748 -0.66 . . . . 70.45 110.363 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -48.38 75.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.657 -0.702 . . . . 55.05 111.696 179.344 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -70.92 -44.81 65.4 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.84 -0.344 . . . . 71.32 110.85 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.36 -32.04 71.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.056 0.455 . . . . 74.42 111.422 -178.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.3 mmpm? -75.21 -19.12 59.96 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.746 -0.596 . . . . 74.22 110.921 177.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -88.5 -46.75 8.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.178 -0.465 . . . . 74.41 111.17 179.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.34 -21.74 17.62 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.128 0.418 . . . . 73.04 112.128 -175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 56.7 68.51 0.85 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.558 0.694 . . . . 71.53 109.515 -170.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.0 mt -81.5 -48.09 12.29 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.1 -0.955 . . . . 74.54 110.507 -176.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.486 ' HE2' HD21 ' A' ' 33' ' ' LEU . 66.8 m-85 -98.11 122.0 40.72 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.602 -0.726 . . . . 72.31 110.444 -176.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -70.87 -33.57 70.74 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.094 -0.706 . . . . 74.32 109.094 177.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -124.63 84.27 2.26 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.38 -0.827 . . . . 64.23 109.683 172.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.26 -56.97 15.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.986 -0.552 . . . . 64.3 111.57 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.9 m -68.19 -33.58 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.835 -0.346 . . . . 75.42 110.591 -177.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -63.71 -40.94 99.06 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.619 -0.801 . . . . 74.44 111.728 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.692 HG22 HD22 ' A' ' 10' ' ' LEU . 62.8 m -59.66 -43.19 94.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.926 0.393 . . . . 74.22 110.546 176.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -65.15 -50.1 67.33 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.135 -0.484 . . . . 60.03 110.757 179.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 21.9 mmmt -61.0 -36.76 80.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.745 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.96 -54.53 25.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.073 -0.512 . . . . 52.32 111.099 178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.635 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -68.0 -35.26 78.01 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.728 -0.669 . . . . 75.44 111.861 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.524 ' HA ' ' O ' ' A' ' 59' ' ' VAL . 81.6 tttt -64.77 -44.87 88.63 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.833 0.349 . . . . 60.22 110.417 179.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -71.58 -24.23 61.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.027 0.441 . . . . 63.24 110.846 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.58 ' HB2' HG12 ' A' ' 58' ' ' ILE . 69.5 mtt180 -84.44 -1.54 55.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 64.42 110.934 176.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 57.8 mttp 57.92 28.89 16.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.359 0.599 . . . . 74.21 111.169 -174.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.635 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 36.0 mm -74.85 -43.74 46.08 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.426 0 N-CA-C 108.014 -1.106 . . . . 41.31 108.014 172.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.524 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 28.8 m -137.21 166.32 25.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 114.323 -1.308 . . . . 74.35 109.018 177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.502 ' HB ' HD11 ' A' ' 79' ' ' LEU . 10.3 t -144.64 149.19 35.3 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.887 0.375 . . . . 64.3 110.232 176.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.513 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -157.98 144.09 12.69 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.63 -0.714 . . . . 74.34 109.116 178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 32.5 Cg_exo -62.08 139.66 79.85 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.422 2.081 . . . . 64.44 111.457 178.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 74.4 -174.58 49.99 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.651 -0.785 . . . . 75.23 111.58 -175.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.476 ' H ' HD23 ' A' ' 65' ' ' LEU . 15.7 tt0 -158.44 21.28 0.23 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.724 0.773 . . . . 74.31 109.616 177.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.476 HD23 ' H ' ' A' ' 64' ' ' GLU . 2.5 pt? -150.18 148.58 29.1 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.701 -1.136 . . . . 61.42 108.886 -178.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.513 HD13 ' N ' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -146.24 152.86 39.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.847 0.356 . . . . 64.14 110.717 178.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.6 tp -88.44 -54.7 4.05 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.81 -0.632 . . . . 74.53 109.797 178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.43 ' HB3' ' H ' ' A' ' 69' ' ' GLY . 26.6 mt-30 -156.54 -153.88 0.44 Allowed 'General case' 0 C--O 1.237 0.395 0 CA-C-N 115.325 -0.852 . . . . 73.45 110.131 -178.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.43 ' H ' ' HB3' ' A' ' 68' ' ' GLN . . . -67.17 1.05 6.87 Favored Glycine 0 CA--C 1.521 0.449 0 C-N-CA 121.674 -0.298 . . . . 43.31 113.217 -178.224 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.0 p -66.88 -11.26 13.3 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 CA-C-O 121.512 0.672 . . . . 74.13 110.74 177.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -89.83 14.02 13.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 74.41 109.886 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.471 ' O ' ' HD2' ' A' ' 29' ' ' LYS . 8.6 t70 -65.14 -21.44 66.79 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.878 -0.601 . . . . 63.55 111.386 178.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.89 4.6 28.74 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.825 0.821 . . . . 73.52 110.292 -174.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.482 ' CG1' ' HD2' ' A' ' 62' ' ' PRO . 88.9 t -112.39 125.6 69.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.317 -0.856 . . . . 73.1 110.665 178.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.514 ' HB3' ' OG ' ' A' ' 27' ' ' SER . 5.3 m-20 -91.48 136.41 33.14 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.849 -0.614 . . . . 42.23 110.782 179.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.513 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.2 mp -97.17 121.31 47.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 108.679 -0.859 . . . . 71.54 108.679 175.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.2 mt -104.48 130.19 55.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 120.962 0.411 . . . . 72.25 111.411 -172.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.502 ' HB2' HG21 ' A' ' 14' ' ' ILE . 38.2 tp -80.3 128.1 33.15 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.624 -0.716 . . . . 74.31 109.946 177.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.502 HD11 ' HB ' ' A' ' 60' ' ' THR . 71.1 mt -106.79 -41.33 5.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.983 -0.553 . . . . 64.41 110.779 -178.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.587 ' NE2' HD13 ' A' ' 58' ' ' ILE . 44.5 mt-30 -111.44 132.46 54.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.964 -0.562 . . . . 74.14 110.557 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -103.54 90.39 3.66 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.454 -0.572 . . . . 73.12 109.454 175.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -61.29 -46.29 90.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.392 -0.822 . . . . 72.11 111.079 -174.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' HE1' ' A' ' 15' ' ' HIS . 31.5 tt0 -143.32 109.73 5.41 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 116.212 -0.449 . . . . 72.41 110.05 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 52.1 t-80 -70.87 139.67 50.89 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.604 -0.725 . . . . 72.1 110.811 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 33.4 t-80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.63 -0.7 . . . . 74.35 109.259 177.176 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 mmt . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 108.431 -0.951 . . . . 73.31 108.431 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.407 HD22 ' HB2' ' A' ' 4' ' ' ASP . 9.1 t30 -70.34 136.89 50.14 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.117 -1.068 . . . . 73.33 108.117 168.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.614 ' HA ' ' OE1' ' A' ' 6' ' ' GLU . 8.6 p -51.29 -28.28 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 113.031 0.752 . . . . 75.42 113.031 -167.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.407 ' HB2' HD22 ' A' ' 2' ' ' ASN . 6.9 m-20 -59.49 -26.93 65.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.526 -0.306 . . . . 71.32 111.324 178.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -79.39 -35.82 40.12 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.592 -0.521 . . . . 64.51 109.592 -178.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.614 ' OE1' ' HA ' ' A' ' 3' ' ' VAL . 3.9 mp0 -72.47 -38.17 68.29 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.364 -0.834 . . . . 73.31 110.317 178.163 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 3' ' ' VAL . 88.5 t -62.38 -45.48 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.143 -0.481 . . . . 73.52 110.119 174.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -63.12 -33.73 76.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.874 -0.603 . . . . 73.23 110.141 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.609 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 59.5 tp -68.81 -43.11 76.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.88 -0.6 . . . . 74.25 110.218 177.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 HD22 HG22 ' A' ' 49' ' ' THR . 59.7 tp -56.26 -44.14 79.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.979 -0.555 . . . . 74.21 109.997 177.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.9 t -60.87 -36.94 75.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.282 -0.872 . . . . 75.41 110.915 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.437 ' HB3' ' O ' ' A' ' 9' ' ' LEU . 6.8 tp10 -64.21 -45.87 86.36 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.078 0.466 . . . . 54.31 110.725 177.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.609 ' HG2' ' O ' ' A' ' 9' ' ' LEU . 3.2 mm-40 -61.91 -35.65 78.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.807 -0.633 . . . . 73.21 110.393 -177.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.531 HG21 ' HB2' ' A' ' 78' ' ' LEU . 63.2 mt -67.3 -32.35 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.832 -0.622 . . . . 71.12 110.309 175.405 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -66.93 -37.41 84.26 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.993 0.425 . . . . 72.02 110.243 175.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.485 HH21 ' CD ' ' A' ' 13' ' ' GLU . 42.3 mtm105 -81.01 -49.24 11.17 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.096 -0.502 . . . . 63.31 112.016 -174.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.7 mt -102.14 -2.75 28.71 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.898 0.38 . . . . 72.34 111.198 -173.285 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 14' ' ' ILE . . . -89.13 132.6 11.34 Favored Glycine 0 N--CA 1.443 -0.862 0 C-N-CA 120.647 -0.787 . . . . 52.34 113.069 -175.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.4 m -99.17 157.09 16.6 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.809 -0.811 . . . . 71.12 108.809 175.27 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -77.03 133.22 39.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.238 1.018 . . . . 62.35 112.421 -174.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -88.72 176.0 7.27 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 113.51 -1.677 . . . . 64.32 109.785 -178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.2 -37.23 74.4 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.652 0.612 . . . . 53.14 112.652 -173.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.71 ' HB2' ' HG3' ' A' ' 25' ' ' LYS . 7.1 m-20 -79.45 -7.98 58.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.234 . . . . 52.31 111.223 -176.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 94.49 12.34 56.03 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.74 -0.944 . . . . 72.14 110.74 -171.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.71 ' HG3' ' HB2' ' A' ' 23' ' ' ASP . 16.6 mttp -84.53 168.23 15.6 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.582 -0.525 . . . . 64.31 109.582 177.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 98.8 mt -101.18 136.21 41.4 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.657 -0.497 . . . . 74.44 109.657 172.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -138.77 142.02 38.8 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 120.88 0.371 . . . . 72.33 110.199 179.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.53 137.93 36.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.287 -0.415 . . . . 71.12 110.142 -179.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 75' ' ' ASP . 63.6 mttm -79.14 146.23 33.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.702 -0.226 . . . . 73.43 110.767 -177.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -53.51 -41.92 66.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.919 -0.582 . . . . 43.25 111.442 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -56.6 -38.1 79.6 Favored Glycine 0 CA--C 1.519 0.285 0 C-N-CA 121.173 -0.537 . . . . 72.51 112.867 -179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.9 t -76.17 -43.27 37.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.058 0.456 . . . . 74.41 110.569 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.7 tt -66.48 -45.22 80.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.903 -0.589 . . . . 71.22 110.068 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 49.3 t80 -58.35 -39.76 80.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.769 -0.651 . . . . 74.14 110.322 -179.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.6 ttt-85 -53.29 -47.36 69.26 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.822 -0.626 . . . . 50.42 111.11 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.409 ' CG ' HH22 ' A' ' 16' ' ' ARG . 0.9 OUTLIER -70.16 -40.25 74.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.812 -0.631 . . . . 73.3 110.353 -174.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -64.04 -43.41 95.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.463 -0.335 . . . . 73.21 111.098 178.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' ' 34' ' ' PHE . 31.0 mmmt -60.95 -14.5 23.07 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.045 0.387 . . . . 74.44 112.045 -179.132 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 31.1 t -80.74 -42.07 22.47 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.436 -0.347 . . . . 72.22 111.163 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.75 -11.33 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.732 0.641 . . . . 74.15 112.732 -173.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 54.01 71.17 0.53 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.849 0.833 . . . . 73.14 109.035 -167.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 27.9 mt -81.38 -41.69 21.6 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.576 -1.193 . . . . 74.43 110.265 -174.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -108.47 106.44 16.54 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.634 -0.712 . . . . 75.55 110.244 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -56.36 -40.7 74.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.163 0.506 . . . . 72.54 109.841 177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -127.89 86.92 2.53 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.086 -0.709 . . . . 74.33 109.086 173.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 49.5 tp -56.96 -45.72 82.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.877 -0.601 . . . . 74.11 110.766 -176.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.4 t -63.26 -37.25 78.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.247 -0.433 . . . . 71.42 110.732 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -65.65 -46.14 85.55 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.939 -0.648 . . . . 53.42 112.327 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.482 HG22 HD22 ' A' ' 10' ' ' LEU . 32.4 m -59.39 -41.44 89.37 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.725 0.298 . . . . 72.23 110.674 176.128 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD23 HD21 ' A' ' 10' ' ' LEU . 96.3 mt -61.3 -48.31 81.93 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.303 -0.408 . . . . 72.44 110.497 176.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 51' ' ' LYS . 27.4 mmmt -58.73 -41.79 87.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.952 -0.567 . . . . 65.22 111.208 178.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.67 -51.22 70.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.224 0.535 . . . . 74.45 111.18 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.665 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -74.6 -26.99 60.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.889 -0.596 . . . . 74.24 111.119 -178.203 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.454 ' HD2' ' CE1' ' A' ' 61' ' ' TYR . 81.5 tttt -67.41 -39.04 85.5 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.787 -0.449 . . . . 64.03 109.787 177.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -64.75 -38.35 90.7 Favored 'General case' 0 N--CA 1.461 0.112 0 CA-C-N 116.255 -0.43 . . . . 70.32 110.682 175.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -85.54 8.76 18.08 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.802 -176.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.431 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 10.8 mptt 60.85 23.14 13.17 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.97 0.508 . . . . 74.15 111.487 179.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.726 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . 88.3 mt -79.9 -47.03 22.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.976 -0.556 . . . . 75.54 109.813 179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.427 HG22 ' HB3' ' A' ' 53' ' ' ALA . 30.9 m -129.94 161.44 39.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.96 -0.564 . . . . 72.34 110.066 178.25 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.6 t -142.75 148.06 36.6 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.062 0.458 . . . . 45.11 110.098 174.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.637 ' HB3' HG13 ' A' ' 76' ' ' ILE . 43.9 p90 -155.03 136.86 9.58 Favored Pre-proline 0 C--N 1.319 -0.741 0 N-CA-C 108.775 -0.824 . . . . 75.43 108.775 176.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.422 ' HD2' ' CG1' ' A' ' 74' ' ' VAL . 37.3 Cg_exo -60.56 139.77 87.76 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.191 1.928 . . . . 73.0 111.651 178.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 81.83 174.74 49.79 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 121.035 -0.602 . . . . 65.02 112.693 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mm-40 -119.73 -62.62 1.47 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.379 -0.6 . . . . 65.13 109.379 177.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt -88.46 172.99 8.95 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.149 -0.932 . . . . 74.13 109.867 178.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.481 HD23 ' HB3' ' A' ' 71' ' ' HIS . 6.4 mp -121.94 133.91 54.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.024 0.44 . . . . 64.44 111.846 -177.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.525 ' HB2' ' CG2' ' A' ' 70' ' ' VAL . 7.0 mp -99.61 147.83 24.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.324 -0.991 . . . . 73.32 108.324 168.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 25.1 tm0? -68.22 115.0 7.18 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.888 0.375 . . . . 74.14 110.843 -173.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 101.41 -20.11 48.15 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.698 -0.763 . . . . 64.13 113.7 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.525 ' CG2' ' HB2' ' A' ' 67' ' ' LEU . 9.7 m -97.43 -23.11 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 117.216 0.508 . . . . 70.33 111.562 -173.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.481 ' HB3' HD23 ' A' ' 66' ' ' LEU . 0.9 OUTLIER -106.38 -1.64 23.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.43 -0.35 . . . . 64.02 110.859 -171.521 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -67.07 -37.98 84.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.068 -0.515 . . . . 72.51 111.199 -178.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -90.13 8.07 34.7 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.968 -0.56 . . . . 54.14 111.278 -176.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 71' ' ' HIS . 76.2 t -79.39 127.9 38.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.993 0.425 . . . . 55.55 110.617 -179.229 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' LYS . 5.1 m-20 -86.74 130.22 34.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.48 -0.782 . . . . 72.44 111.036 -179.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.637 HG13 ' HB3' ' A' ' 61' ' ' TYR . 2.6 mp -94.45 119.36 42.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 N-CA-C 108.766 -0.827 . . . . 42.43 108.766 172.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.2 mt -100.64 128.28 52.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 116.084 -0.507 . . . . 74.21 111.059 -174.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.531 ' HB2' HG21 ' A' ' 14' ' ' ILE . 41.7 tp -81.96 110.95 17.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.912 -0.585 . . . . 74.21 109.835 176.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 87.4 mt -90.46 -42.19 11.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.278 0.561 . . . . 74.13 110.419 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.726 ' HB3' ' HA ' ' A' ' 58' ' ' ILE . 29.3 tt0 -125.83 133.63 51.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.599 -0.728 . . . . 72.3 109.991 -177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -109.57 115.01 29.11 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 109.46 -0.571 . . . . 61.41 109.46 179.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.3 -6.04 53.76 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.274 0.472 . . . . 73.31 112.274 -176.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -98.02 -51.34 4.07 Favored 'General case' 0 N--CA 1.446 -0.632 0 C-N-CA 120.274 -0.57 . . . . 74.2 111.389 -170.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -139.34 -34.24 0.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.634 0.605 . . . . 71.33 112.634 -171.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 61.1 t-80 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.253 -0.88 . . . . 74.41 110.982 -173.015 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 121.001 0.429 . . . . 71.42 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 38.0 t30 -108.57 130.6 55.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.739 -0.837 . . . . 53.0 108.739 175.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 7' ' ' VAL . 11.8 p -51.41 -41.54 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 112.522 0.564 . . . . 71.12 112.522 -170.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -61.41 -41.35 97.02 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.836 0.35 . . . . 62.43 110.743 179.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -64.66 -42.82 95.13 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.976 -0.556 . . . . 73.25 110.141 177.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.474 ' HG2' ' O ' ' A' ' 2' ' ' ASN . 8.5 mm-40 -64.22 -34.43 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.047 -0.524 . . . . 74.33 110.22 -178.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 3' ' ' VAL . 61.6 t -68.28 -39.15 80.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 74.13 110.32 175.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.35 -31.49 72.72 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.038 0.447 . . . . 65.12 110.149 174.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 69.9 tp -69.69 -44.51 70.27 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.881 -0.599 . . . . 73.45 109.536 175.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.55 HD22 HG22 ' A' ' 49' ' ' THR . 55.3 tp -56.57 -52.47 64.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.527 -0.761 . . . . 64.21 110.81 178.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 32.8 m -64.3 -30.57 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.317 -0.401 . . . . 75.43 111.271 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 31.8 tt0 -70.92 -45.35 64.4 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-O 120.667 0.27 . . . . 63.4 110.457 178.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.507 ' HA ' ' OE1' ' A' ' 13' ' ' GLU . 30.7 mm-40 -63.51 -34.51 77.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.667 0.27 . . . . 74.34 110.753 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 10' ' ' LEU . 92.4 mt -63.92 -33.56 62.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.27 -0.423 . . . . 74.14 110.418 175.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' GLU . 2.4 m-70 -61.8 -43.37 98.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.363 -0.38 . . . . 73.21 111.272 175.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.477 HH21 ' CD ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -84.39 -48.35 9.75 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.188 0.44 . . . . 71.54 112.188 -176.234 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.33 -18.6 45.14 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.741 0.305 . . . . 74.24 111.402 -174.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -86.81 162.01 33.86 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.576 -0.821 . . . . 53.31 113.016 -174.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 49.2 m -126.36 159.17 33.95 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 108.576 -0.898 . . . . 75.21 108.576 177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.6 mtmm -75.33 127.09 32.37 Favored 'General case' 0 CA--C 1.512 -0.491 0 CA-C-O 122.135 0.969 . . . . 73.43 111.253 -175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -86.12 172.48 10.54 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.614 -1.63 . . . . 71.35 109.565 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.4 -25.61 68.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.178 -0.464 . . . . 75.31 111.494 -175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -79.6 -11.42 59.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.179 -0.464 . . . . 64.31 111.358 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.96 2.53 71.5 Favored Glycine 0 N--CA 1.452 -0.242 0 N-CA-C 110.474 -1.05 . . . . 73.25 110.474 -170.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -84.88 145.83 27.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.645 -0.777 . . . . 64.54 110.068 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.2 mt -79.78 128.89 33.98 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.451 -0.574 . . . . 74.22 109.451 174.002 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.6 m -136.97 143.03 42.61 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.855 0.359 . . . . 54.52 110.74 -178.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.6 p -140.86 138.27 34.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.859 -0.609 . . . . 74.52 110.177 -177.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -77.68 142.14 38.98 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.272 0.558 . . . . 74.21 111.296 -177.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -69.59 -26.7 64.59 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.438 -0.801 . . . . 72.54 110.78 -177.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -63.41 -48.09 81.68 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.704 -0.76 . . . . 62.41 112.102 179.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.11 -41.21 37.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.724 0.297 . . . . 64.14 110.911 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -59.97 -46.01 90.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 75.53 110.159 177.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -66.87 -35.21 79.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.72 0.295 . . . . 61.32 110.291 179.041 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.4 tpt180 -61.0 -47.89 84.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.062 -0.517 . . . . 75.53 110.467 177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.61 -48.75 71.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.074 -0.512 . . . . 64.13 110.993 178.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -61.76 -31.26 71.44 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-N 116.534 -0.303 . . . . 73.54 111.074 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HA ' ' HD2' ' A' ' 38' ' ' LYS . 44.5 tptt -58.83 -28.65 66.25 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.967 0.413 . . . . 74.21 111.116 -179.229 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.2 m -87.44 -16.9 33.51 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.125 -0.489 . . . . 74.14 111.906 -177.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -120.23 -33.64 3.86 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 112.645 0.609 . . . . 52.41 112.645 -174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 13.9 m120 55.73 63.7 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.359 0.664 . . . . 74.33 110.464 -173.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -80.53 -45.35 17.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.532 -0.758 . . . . 75.43 109.815 -178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.421 ' CD2' HD13 ' A' ' 46' ' ' LEU . 64.0 m-85 -88.03 109.16 19.63 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.427 -0.806 . . . . 73.22 110.31 -178.3 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -55.75 -53.3 58.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.356 -0.609 . . . . 71.33 109.356 177.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.34 84.81 2.24 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.693 -0.685 . . . . 52.13 109.822 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.421 HD13 ' CD2' ' A' ' 43' ' ' PHE . 39.1 tp -58.2 -42.52 86.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.944 -0.571 . . . . 64.41 110.891 -177.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.9 t -69.25 -32.15 52.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.159 -0.473 . . . . 71.13 110.299 178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -69.73 -44.61 62.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 121.119 -0.562 . . . . 51.23 112.106 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.55 HG22 HD22 ' A' ' 10' ' ' LEU . 10.2 m -59.5 -43.71 93.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.674 0.273 . . . . 74.41 110.722 176.419 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.38 -44.3 97.4 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.235 -0.438 . . . . 74.34 110.465 176.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 4.7 tptp -59.29 -45.89 90.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.02 -0.536 . . . . 52.12 110.737 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.24 -51.14 69.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.819 -0.628 . . . . 74.23 111.304 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.839 ' HB1' ' HB ' ' A' ' 58' ' ' ILE . . . -75.24 -27.08 59.35 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.587 -0.733 . . . . 74.43 111.698 -176.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -70.33 -35.84 73.86 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.7 -0.4 . . . . 62.33 110.042 176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.478 ' HG2' ' O ' ' A' ' 51' ' ' LYS . 30.1 mmt180 -65.75 -37.87 87.55 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 121.061 0.458 . . . . 74.31 110.388 176.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.64 ' HB2' HG12 ' A' ' 58' ' ' ILE . 65.3 mtt180 -88.11 -1.19 57.86 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.005 -0.543 . . . . 73.24 111.586 -178.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' HD3' ' HA ' ' A' ' 57' ' ' LYS . 33.0 mmtp 56.04 33.97 22.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.398 0.618 . . . . 71.25 111.041 -175.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.839 ' HB ' ' HB1' ' A' ' 53' ' ' ALA . 24.8 mm -72.18 -42.42 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 108.041 -1.096 . . . . 65.31 108.041 170.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.447 HG22 ' CB ' ' A' ' 53' ' ' ALA . 28.8 m -135.63 171.08 17.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 114.494 -1.23 . . . . 74.45 109.156 177.102 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.9 t -152.09 150.89 30.42 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 109.72 -0.474 . . . . 40.4 109.72 175.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.59 ' CE2' ' HA ' ' A' ' 64' ' ' GLU . 27.5 p90 -157.55 148.16 16.11 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.097 -0.705 . . . . 64.33 109.097 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.449 ' HD2' HG13 ' A' ' 74' ' ' VAL . 52.9 Cg_exo -55.2 137.67 77.41 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.245 1.963 . . . . 74.1 111.878 178.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 54.59 -154.47 9.13 Favored Glycine 0 N--CA 1.447 -0.6 0 CA-C-N 115.668 -0.697 . . . . 62.41 112.754 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.59 ' HA ' ' CE2' ' A' ' 61' ' ' TYR . 5.4 pt-20 -160.14 -7.77 0.06 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.909 0.385 . . . . 75.22 110.636 172.445 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.9 tt -108.03 94.38 5.04 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.627 -0.879 . . . . 74.21 108.627 173.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.67 ' HB3' ' HB3' ' A' ' 71' ' ' HIS . 93.9 mt -121.12 100.0 6.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.226 -0.443 . . . . 74.32 111.515 -173.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.0 mt -82.41 174.74 10.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.838 0.352 . . . . 71.0 110.885 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -64.81 151.26 45.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.197 0.523 . . . . 75.42 111.524 -178.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.77 -42.46 3.11 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.62 -0.718 . . . . 72.03 112.914 178.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.5 p -97.1 -8.44 9.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.246 0.461 . . . . 62.21 112.246 -173.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.67 ' HB3' ' HB3' ' A' ' 66' ' ' LEU . 0.7 OUTLIER -111.69 11.71 21.07 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 113.241 0.83 . . . . 64.22 113.241 -173.286 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.76 -34.59 71.99 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.914 -0.492 . . . . 74.52 111.773 -171.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -98.44 9.43 43.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.309 0.576 . . . . 72.11 110.819 -176.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.494 HG23 ' HA ' ' A' ' 71' ' ' HIS . 44.9 t -74.18 114.54 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.196 -0.456 . . . . 71.44 109.799 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -91.7 119.73 31.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.93 0.395 . . . . 75.13 110.812 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 61' ' ' TYR . 3.4 mp -86.51 117.38 30.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 108.929 -0.767 . . . . 63.11 108.929 174.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.4 mt -96.24 126.17 48.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.054 -0.521 . . . . 72.3 110.947 -176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.41 ' HB2' HG21 ' A' ' 14' ' ' ILE . 37.9 tp -79.94 110.35 15.23 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.91 -0.586 . . . . 72.55 109.587 176.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 89.8 mt -88.73 -42.4 11.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.007 0.432 . . . . 74.44 110.376 -177.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.3 tt0 -107.05 130.46 54.66 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.53 -0.915 . . . . 73.21 108.53 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -125.42 85.14 2.36 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 121.327 0.584 . . . . 64.44 110.429 -176.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.749 ' H ' HD23 ' A' ' 82' ' ' LEU . 2.0 pt? -105.16 -35.27 7.65 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.453 -0.794 . . . . 60.04 109.992 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 84' ' ' HIS . 19.3 tt0 56.31 -109.96 0.52 Allowed 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 114.791 -1.095 . . . . 61.42 109.853 -172.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 83' ' ' GLU . 8.6 p80 171.12 -40.3 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.078 0.551 . . . . 72.42 110.03 176.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 40.1 t-80 . . . . . 0 C--O 1.249 1.026 0 CA-C-O 118.214 -0.898 . . . . 74.21 110.85 -174.672 . . . . . . . . 0 0 . 1 stop_ save_