data_2jyu_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 2jyu _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 ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.83 0.348 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.71 8.09 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -82.01 -52.77 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -174.97 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.56 100.34 31.86 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.17 166.3 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.02 2.48 . . . . 0.0 112.101 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m 57.48 -167.62 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -74.27 82.14 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.67 176.8 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.57 142.48 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 122.55 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.96 149.36 30.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HG2' ' H ' ' A' ' 18' ' ' LEU . 13.1 tt0 -92.46 161.62 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -124.5 -167.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -115.61 30.71 7.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.418 . . . . 0.0 111.079 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -137.08 18.33 2.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.97 15.39 78.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.595 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 7.9 tt0 -120.76 147.83 44.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -109.36 141.08 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.32 -174.82 13.8 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.437 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.29 143.55 31.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 127.77 49.39 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.983 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.54 8.77 4.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.684 2.256 . . . . 0.0 112.677 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.336 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.608 0.242 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.49 -157.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.551 2.168 . . . . 0.0 112.294 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -85.21 20.09 2.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.21 -16.77 45.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -133.28 172.69 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -102.51 151.02 22.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -88.25 102.53 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.4 t -105.03 142.16 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.07 151.44 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.34 72.31 0.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.38 -113.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -174.9 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 96.3 m -85.48 135.16 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.82 145.8 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.529 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.72 168.06 10.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.986 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.18 -3.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.34 109.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.217 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 105.89 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.707 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 p -146.84 84.99 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -92.52 140.85 24.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.466 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 1.1 Cg_endo -84.45 177.6 5.62 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.116 2.544 . . . . 0.0 112.243 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.93 31.81 21.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m 54.14 37.69 27.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -85.5 -176.46 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.23 149.46 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.829 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -101.9 135.68 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.08 154.96 50.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.11 157.74 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 mt -106.49 -87.25 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -123.3 -67.25 0.95 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.11 107.92 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.65 -6.03 71.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.845 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.59 130.41 54.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -114.13 138.25 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.92 140.19 9.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.0 143.31 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 124.96 72.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.29 -29.0 86.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.593 2.195 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 15.5 m . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 120.591 0.234 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 41' ' ' CYS . 82.4 Cg_endo -90.01 170.66 4.11 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.799 2.333 . . . . 0.0 112.442 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 55.0 29.59 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.42 130.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.743 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.522 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 1.8 m-85 -143.2 165.8 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.754 0.312 . . . . 0.0 110.769 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.31 125.61 51.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.0 116.79 23.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.49 135.54 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.17 17.29 3.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.519 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 52.54 75.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.061 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.51 -79.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.257 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -91.01 143.61 26.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 110.605 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 31.4 p -106.29 134.25 49.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.0 143.75 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.484 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.84 178.64 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.694 0.283 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.59 -25.19 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.5 -16.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 t -113.81 149.38 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -158.04 134.64 9.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 1.2 m -88.52 129.43 49.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.505 ' HD2' ' OD2' ' A' ' 13' ' ' ASP . 85.6 Cg_endo -93.85 163.4 2.21 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.113 2.542 . . . . 0.0 112.228 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.416 ' HB3' ' H ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 57.71 -92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' A' ' 11' ' ' SER . 9.7 t -165.04 71.09 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.702 ' HB3' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -122.88 172.04 8.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.538 HG21 ' SG ' ' A' ' 26' ' ' CYS . 2.2 t -97.21 150.68 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -97.16 120.87 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.4 t -120.05 173.44 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -118.95 146.02 45.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.66 174.47 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 p -86.01 4.13 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.08 10.44 35.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.29 -0.38 80.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.14 147.46 40.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -86.29 -179.64 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.76 161.3 27.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.175 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 13' ' ' ASP . 20.7 t -93.94 146.6 23.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.538 ' SG ' HG21 ' A' ' 14' ' ' THR . 1.1 p -132.99 97.07 17.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.702 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . 14.5 Cg_exo -69.04 127.14 14.71 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.731 2.287 . . . . 0.0 111.809 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' C ' ' A' ' 27' ' ' PRO . 14.6 tt . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.267 0.556 . . . . 0.0 111.302 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.657 0.265 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.76 -154.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.641 2.227 . . . . 0.0 112.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.8 144.34 50.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.47 -45.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.584 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -93.26 159.44 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.586 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -137.0 152.67 50.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.315 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.3 m -84.68 91.0 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.58 143.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.22 98.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 58.88 -162.87 0.23 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -86.46 73.54 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.471 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.45 177.78 7.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 0.0 110.897 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 46' ' ' THR . 75.8 m -141.29 119.77 12.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -144.65 167.69 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 128.96 34.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 -179.842 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.513 0.197 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 62.74 -176.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' A' ' 7' ' ' SER . 86.2 t 61.42 -81.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.086 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.484 ' HG ' HG11 ' A' ' 6' ' ' VAL . 39.4 m -121.9 99.24 6.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.593 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -151.28 -174.97 4.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.528 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 1.2 m -84.53 160.12 57.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.81 178.32 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.929 2.419 . . . . 0.0 112.154 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -72.72 83.22 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.5 t -175.61 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.715 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' A' ' 9' ' ' CYS . 1.2 p30 -89.3 -176.44 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.61 HG21 ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.295 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -97.52 154.32 17.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 t -140.2 148.9 42.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.63 169.87 17.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.73 -4.06 15.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.015 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 55.43 34.9 23.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.1 p -149.89 -28.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 140.56 -8.1 2.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.558 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.78 177.47 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -135.29 139.99 44.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.46 135.47 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.609 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.96 139.14 32.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.54 85.38 7.28 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HA ' HG21 ' A' ' 14' ' ' THR . 72.0 Cg_endo -77.43 139.9 18.81 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.656 2.237 . . . . 0.0 112.75 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.663 0.268 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.25 -169.27 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.682 2.254 . . . . 0.0 112.135 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 54.75 -95.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.86 34.29 0.16 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.382 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.43 173.7 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -140.21 141.77 35.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.67 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.9 m -92.93 123.52 36.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.526 ' H ' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -103.67 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.463 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.63 -96.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.419 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -128.4 114.59 17.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.92 -119.52 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.74 178.91 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.457 ' HA ' ' O ' ' A' ' 46' ' ' THR . 0.1 OUTLIER -90.8 107.93 19.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.714 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -97.77 158.53 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.31 120.24 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.676 0.274 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -144.89 -47.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.359 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -117.34 21.09 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.987 0.423 . . . . 0.0 111.368 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -140.91 166.29 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -157.74 162.49 38.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 162.72 49.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.55 174.84 8.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.319 2.013 . . . . 0.0 112.446 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.44 171.4 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 65.35 4.08 2.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.245 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -140.73 -174.97 4.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.824 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 26' ' ' CYS . 2.9 t -159.29 135.92 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -89.46 107.95 19.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.78 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.78 144.62 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 22.9 tt0 -96.31 158.47 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 1.5 mt -99.74 -119.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -149.29 -31.54 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.818 0.342 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.83 67.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.38 21.7 1.79 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.2 169.1 10.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.729 0.3 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -116.42 166.29 12.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.5 123.09 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.702 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.48 149.62 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.726 0.298 . . . . 0.0 110.611 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.43 ' O ' HG22 ' A' ' 14' ' ' THR . 22.1 p -146.01 136.37 12.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.324 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.14 163.69 30.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.602 2.202 . . . . 0.0 112.117 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.016 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.609 0.243 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.522 ' HD2' ' HD2' ' A' ' 45' ' ' TYR . 90.4 Cg_endo -81.67 -148.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.597 2.198 . . . . 0.0 112.205 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.464 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 10.6 pt20 -93.27 62.36 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.63 49.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.64 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.687 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 2.0 m-85 -158.67 160.24 36.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.645 0.259 . . . . 0.0 110.592 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -134.13 131.44 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.486 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 p -89.76 147.04 24.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.54 143.1 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.259 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 -163.76 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.02 18.65 55.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.749 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -93.53 165.68 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.794 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 1.2 p -137.54 122.21 18.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.8 167.79 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.46 152.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.878 0.37 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -158.92 -58.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.52 116.69 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -138.75 -174.91 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.66 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.47 84.07 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 163.17 29.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.787 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.15 150.54 13.73 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.163 1.908 . . . . 0.0 112.406 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -56.03 168.88 0.43 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.075 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.51 35.63 26.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.66 118.96 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -90.93 168.25 11.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 12.9 p -113.8 135.74 53.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.58 168.9 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.496 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 32.2 tt0 -94.44 155.56 16.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.496 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 5.1 mt -103.82 -167.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 p -103.0 -8.39 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 m -93.9 9.95 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.031 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.03 32.04 45.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -125.16 -171.64 2.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -139.22 146.24 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.763 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.65 157.22 28.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.552 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -85.01 123.1 30.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.725 0.298 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 28' ' ' ILE . 65.9 m -84.4 149.41 54.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -84.7 20.47 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.701 2.268 . . . . 0.0 112.769 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.4 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.529 0.204 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.78 -146.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.728 2.285 . . . . 0.0 112.177 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -119.63 154.25 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.637 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.66 27.51 71.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.147 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 55' ' ' LYS . 21.0 p90 -94.73 -174.75 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.024 0.44 . . . . 0.0 111.436 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m -114.43 137.44 51.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.7 m -104.69 116.9 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.21 171.54 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.13 -172.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.71 53.15 4.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.545 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -152.98 165.09 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.051 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . 1.6 p -145.62 169.59 18.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.745 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.9 129.17 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 111.474 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -83.56 171.88 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.865 179.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.483 ' H ' ' HG2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.765 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 65.08 -76.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.872 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 7' ' ' SER . 12.9 m -128.88 -150.0 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.65 -0.13 . . . . 0.0 110.65 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -145.56 84.24 1.68 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -166.95 84.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.033 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -151.34 84.4 5.23 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.58 -174.09 1.69 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.339 2.693 . . . . 0.0 112.453 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p -50.62 166.68 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.53 15.18 6.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.503 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.14 116.27 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.439 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.49 154.49 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.354 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.19 126.5 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.725 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -140.86 167.52 21.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.09 157.55 22.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.93 -167.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -116.47 14.37 15.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -120.27 -21.36 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.01 23.03 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.611 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.46 -175.44 3.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -121.83 148.23 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.752 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.12 30.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.632 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.42 136.43 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.289 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -93.04 130.43 36.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 31.4 Cg_exo -61.49 -19.5 64.77 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.501 2.134 . . . . 0.0 112.493 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 -179.838 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.536 0.208 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.6 172.98 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.472 2.115 . . . . 0.0 112.224 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 51.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.46 15.29 2.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.616 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -141.62 174.55 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 1.1 m -123.7 155.38 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.336 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -87.5 87.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.25 -176.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 171.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.47 13.45 5.09 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.64 57.7 16.51 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.761 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.56 150.6 51.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 46' ' ' THR . 10.2 m -103.1 113.79 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.529 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 1.5 tt0 -156.6 153.44 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.609 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.529 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 4.5 tptm -77.69 154.0 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.739 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' A' ' 7' ' ' SER . 39.7 t30 -115.93 158.24 23.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 t 69.56 -10.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.606 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -122.48 106.76 11.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.79 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -115.74 149.92 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 154.79 37.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' OD1' ' A' ' 13' ' ' ASP . 85.3 Cg_endo -84.08 -178.96 3.73 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.484 2.123 . . . . 0.0 112.456 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -82.42 7.73 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -97.37 3.36 51.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.038 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.816 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . 2.3 p30 -154.3 -174.97 5.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.027 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -132.26 148.97 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 111.01 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 161.29 13.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -99.15 149.38 23.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -118.63 156.05 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 t -70.87 -15.19 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -76.19 0.51 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.03 -0.22 87.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -107.79 168.39 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.804 0.335 . . . . 0.0 110.692 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -118.66 145.26 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.5 173.06 21.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.67 132.04 56.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -166.44 96.65 0.73 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.816 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 84.1 Cg_endo -81.17 52.6 4.39 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.229 . . . . 0.0 112.123 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.294 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.591 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 64.3 m . . . . . 0 CA--C 1.531 0.224 0 CA-C-O 120.374 0.13 . . . . 0.0 110.683 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 74.0 Cg_endo -75.33 44.94 1.3 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.546 2.164 . . . . 0.0 112.929 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 63.44 156.76 0.06 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.074 0.464 . . . . 0.0 111.672 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.64 25.89 64.03 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.894 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.562 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 39.2 m-85 -147.51 141.5 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.738 0.304 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.405 ' OG1' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -98.95 147.37 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.397 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 106.12 18.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 p -119.78 168.73 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 58.13 -168.71 0.13 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.263 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -96.51 74.16 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.62 20.72 8.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.842 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.05 -178.02 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 45' ' ' TYR . 22.8 t -165.18 119.88 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.269 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 147.05 51.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.549 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -60.78 171.85 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.24 -179.595 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.445 ' H ' ' HG2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.109 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.619 0.247 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -27.35 50.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.85 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.22 83.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -84.28 102.12 12.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.5 p -130.9 99.03 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -159.3 147.19 13.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 9' ' ' CYS . 1.1 Cg_endo -84.26 167.67 12.08 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.074 2.516 . . . . 0.0 112.26 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 160.58 12.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m 55.71 29.3 13.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -147.11 166.15 27.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -134.43 143.07 47.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.18 140.49 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.0 p -132.9 162.16 32.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.13 161.61 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.54 163.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.53 28.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -128.16 17.68 6.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.735 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.75 25.68 72.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.662 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -135.94 162.85 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -106.49 149.44 27.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.8 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.76 -174.82 16.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.411 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.3 m -121.17 138.75 54.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 t -127.97 136.41 28.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 17.1 Cg_exo -67.67 -172.6 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.831 2.354 . . . . 0.0 112.521 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.9 tt . . . . . 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 179.842 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 4.0 m . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.556 0.217 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 17.5 Cg_endo -57.27 178.77 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.619 2.213 . . . . 0.0 112.511 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 140.38 52.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.99 -38.61 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.759 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.482 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 95.3 m-85 -84.85 150.14 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -115.27 177.84 4.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.78 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.41 ' HB2' ' CB ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -112.47 133.22 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.595 ' H ' ' HA ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -177.75 178.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 63.61 -166.87 0.22 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.71 -19.63 41.64 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.38 -128.66 3.78 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.088 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.595 ' HA ' ' H ' ' A' ' 48' ' ' VAL . 2.2 pt20 -164.34 83.94 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.691 0.281 . . . . 0.0 110.997 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -179.77 101.36 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -154.56 132.72 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.688 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 169.93 8.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.231 0.08 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 53.22 56.43 7.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t 59.49 34.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.24 161.47 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.683 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 p -154.68 170.57 21.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.083 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.43 ' SG ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -86.08 153.14 56.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 91.5 Cg_endo -83.78 177.07 6.44 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.57 2.18 . . . . 0.0 112.256 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 174.59 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.007 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.4 m 56.11 35.49 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.87 172.7 18.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.91 134.22 46.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 129.78 56.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 -178.59 5.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.068 0.461 . . . . 0.0 111.372 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.1 167.69 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 3.6 mt -133.65 141.24 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -74.31 1.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.5 m -80.23 -28.13 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.17 -9.89 5.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.661 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 22.5 mt-10 -129.04 -170.71 2.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -103.91 156.1 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.41 178.11 35.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.739 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.1 m -113.14 158.06 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.43 147.76 38.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.598 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -37.1 121.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.983 2.455 . . . . 0.0 112.766 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.7 tt . . . . . 0 CA--C 1.531 0.215 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.551 -179.544 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.662 0.268 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -90.67 175.55 2.6 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.938 2.425 . . . . 0.0 112.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.405 ' C ' ' H ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -77.8 -3.2 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.469 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.493 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -60.81 -7.28 7.9 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.527 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.492 ' HB3' ' N ' ' A' ' 54' ' ' GLN . 14.9 m-85 -141.26 174.17 10.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.601 ' H ' ' C ' ' A' ' 54' ' ' GLN . 52.8 m -98.4 125.83 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.394 . . . . 0.0 110.156 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 90.33 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.031 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.05 162.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.008 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.92 -90.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.334 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -144.16 -104.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 0.0 111.064 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.4 19.66 17.76 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.809 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -97.59 126.32 42.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.65 124.09 37.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.601 ' C ' ' H ' ' A' ' 46' ' ' THR . 33.3 tt0 -157.21 118.45 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.384 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -74.92 -161.16 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.944 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 1.8 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.767 0.318 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.85 100.11 1.18 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.693 2.262 . . . . 0.0 112.612 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -145.34 65.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.48 -170.85 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.049 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.71 8.09 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -82.01 -52.77 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -174.97 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.56 100.34 31.86 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.17 166.3 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.02 2.48 . . . . 0.0 112.101 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m 57.48 -167.62 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -74.27 82.14 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' HA ' ' CB ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -141.67 176.8 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.57 142.48 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 122.55 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.96 149.36 30.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HG2' ' H ' ' A' ' 18' ' ' LEU . 13.1 tt0 -92.46 161.62 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.986 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -124.5 -167.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -115.61 30.71 7.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.418 . . . . 0.0 111.079 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -137.08 18.33 2.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.97 15.39 78.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.595 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 7.9 tt0 -120.76 147.83 44.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -109.36 141.08 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.32 -174.82 13.8 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.437 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.29 143.55 31.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 127.77 49.39 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.983 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.54 8.77 4.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.684 2.256 . . . . 0.0 112.677 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.01 61.33 57.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.336 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.429 ' CB ' ' HA ' ' A' ' 13' ' ' ASP . 82.8 Cg_endo -88.76 53.48 1.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.758 2.305 . . . . 0.0 112.486 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -145.7 -166.93 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.88 146.31 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.0 m -92.08 -175.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.237 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -159.8 16.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.54 129.67 47.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.114 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 82.8 p -157.22 -29.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.734 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.2 t0 55.33 51.6 12.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 55.92 31.57 18.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.93 87.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.7 -33.29 0.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -126.68 -73.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -118.38 113.68 36.79 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.133 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.49 -157.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.551 2.168 . . . . 0.0 112.294 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -85.21 20.09 2.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.21 -16.77 45.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -133.28 172.69 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -102.51 151.02 22.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -88.25 102.53 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.4 t -105.03 142.16 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.07 151.44 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.34 72.31 0.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.38 -113.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -174.9 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 96.3 m -85.48 135.16 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.82 145.8 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.529 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.72 168.06 10.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.986 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.87 -22.1 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.948 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.97 -169.7 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 56.32 85.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.184 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.76 149.79 46.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.83 34.69 25.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.08 27.48 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.6 m80 58.12 87.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.47 7.89 27.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -99.22 34.43 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.484 ' HB3' ' H ' ' A' ' 66' ' ' HIS . 6.8 m80 -113.67 -143.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.484 ' H ' ' HB3' ' A' ' 65' ' ' HIS . 0.8 OUTLIER 65.55 158.83 0.11 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.873 0.368 . . . . 0.0 111.064 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.927 -179.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.708 HG22 ' HD3' ' A' ' 10' ' ' PRO . 91.1 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.554 0.216 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -56.35 127.32 25.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.556 2.171 . . . . 0.0 112.333 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -121.39 41.87 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.69 -29.59 59.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.18 -3.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.34 109.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.217 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 105.89 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.707 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 p -146.84 84.99 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.46 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -92.52 140.85 24.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.708 ' HD3' HG22 ' A' ' 1' ' ' VAL . 1.1 Cg_endo -84.45 177.6 5.62 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.116 2.544 . . . . 0.0 112.243 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.93 31.81 21.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m 54.14 37.69 27.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.466 ' HB2' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -85.5 -176.46 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.23 149.46 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.829 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -101.9 135.68 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.08 154.96 50.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.11 157.74 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 mt -106.49 -87.25 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -123.3 -67.25 0.95 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.11 107.92 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.65 -6.03 71.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.845 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.59 130.41 54.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -114.13 138.25 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.92 140.19 9.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.0 143.31 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 124.96 72.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.29 -29.0 86.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.593 2.195 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.415 HD13 ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -131.24 108.4 14.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.58 84.59 0.29 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.689 2.259 . . . . 0.0 112.21 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' OE1' HD13 ' A' ' 28' ' ' ILE . 2.8 mt-10 -89.92 172.24 9.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.86 137.85 40.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.434 HG23 ' HA3' ' A' ' 44' ' ' GLY . 15.3 m 33.6 71.64 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.842 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -78.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.285 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.68 147.74 17.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.8 p -149.43 95.98 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.727 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -71.28 110.99 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -93.97 99.63 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -129.55 -54.59 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.25 3.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.307 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.46 -139.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.204 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 15.5 m 64.66 57.71 1.47 Allowed Pre-proline 0 CA--C 1.53 0.18 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 41' ' ' CYS . 82.4 Cg_endo -90.01 170.66 4.11 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.799 2.333 . . . . 0.0 112.442 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 55.0 29.59 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.434 ' HA3' HG23 ' A' ' 32' ' ' VAL . . . 75.42 130.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.743 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.522 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 1.8 m-85 -143.2 165.8 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.754 0.312 . . . . 0.0 110.769 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.31 125.61 51.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.0 116.79 23.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.49 135.54 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.17 17.29 3.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.519 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 52.54 75.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.061 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.51 -79.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.257 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -91.01 143.61 26.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 110.605 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.522 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 31.4 p -106.29 134.25 49.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.0 143.75 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.484 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.84 178.64 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -91.02 173.6 7.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -129.52 86.96 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.99 9.62 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.97 169.97 9.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.073 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.39 147.95 14.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 59.03 94.69 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.994 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.07 -37.44 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -106.16 -92.28 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.63 129.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.309 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.414 ' HB3' ' H ' ' A' ' 66' ' ' HIS . 21.9 m170 58.37 -161.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.414 ' H ' ' HB3' ' A' ' 65' ' ' HIS . 0.6 OUTLIER -75.94 -170.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.787 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.2 m80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.831 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.615 0.245 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.08 -36.25 2.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.482 2.121 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.2 t 59.18 -90.67 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -109.83 -168.77 1.37 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.763 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.59 -25.19 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.5 -16.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 t -113.81 149.38 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -158.04 134.64 9.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.418 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 1.2 m -88.52 129.43 49.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.505 ' HD2' ' OD2' ' A' ' 13' ' ' ASP . 85.6 Cg_endo -93.85 163.4 2.21 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.113 2.542 . . . . 0.0 112.228 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.416 ' HB3' ' H ' ' A' ' 12' ' ' SER . 0.3 OUTLIER 57.71 -92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' A' ' 11' ' ' SER . 9.7 t -165.04 71.09 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.702 ' HB3' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -122.88 172.04 8.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.538 HG21 ' SG ' ' A' ' 26' ' ' CYS . 2.2 t -97.21 150.68 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -97.16 120.87 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.404 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.4 t -120.05 173.44 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -118.95 146.02 45.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.66 174.47 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 p -86.01 4.13 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.08 10.44 35.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.29 -0.38 80.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.14 147.46 40.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -86.29 -179.64 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.76 161.3 27.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.175 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.602 ' SG ' ' HB2' ' A' ' 13' ' ' ASP . 20.7 t -93.94 146.6 23.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.547 ' HB2' ' HG3' ' A' ' 29' ' ' PRO . 1.1 p -132.99 97.07 17.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.702 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . 14.5 Cg_exo -69.04 127.14 14.71 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.731 2.287 . . . . 0.0 111.809 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.432 HG23 ' C ' ' A' ' 27' ' ' PRO . 14.6 tt 35.89 67.35 1.57 Allowed Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 121.267 0.556 . . . . 0.0 111.302 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.547 ' HG3' ' HB2' ' A' ' 26' ' ' CYS . 17.8 Cg_exo -66.05 -162.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.728 2.286 . . . . 0.0 112.344 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 58.54 79.46 0.21 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.37 -75.37 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.402 ' HB ' ' H ' ' A' ' 33' ' ' CYS . 6.2 t -117.48 -91.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER 57.06 -176.94 0.06 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.244 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -173.04 119.81 0.35 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.71 36.28 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.68 -52.29 32.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -99.94 -55.49 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.04 -177.67 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 63.31 4.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.793 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -15.51 41.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.47 142.28 16.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.76 -154.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.641 2.227 . . . . 0.0 112.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.8 144.34 50.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.47 -45.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.584 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -93.26 159.44 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.586 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -137.0 152.67 50.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.315 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.3 m -84.68 91.0 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.58 143.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.22 98.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 58.88 -162.87 0.23 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -86.46 73.54 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.471 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.45 177.78 7.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 0.0 110.897 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.586 ' HA ' ' O ' ' A' ' 46' ' ' THR . 75.8 m -141.29 119.77 12.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -144.65 167.69 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HB3' ' HB1' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -83.56 128.96 34.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt -91.03 136.3 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 56.8 40.91 28.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.167 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB1' ' HB3' ' A' ' 55' ' ' LYS . . . -119.26 154.21 33.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.01 86.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.318 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 ' HB3' ' H ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER 53.11 -141.13 0.88 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.011 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.417 ' H ' ' HB3' ' A' ' 60' ' ' LEU . 10.1 mt-10 65.5 170.96 0.22 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.869 0.366 . . . . 0.0 111.033 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -84.32 178.12 7.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -113.16 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.83 168.27 23.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -111.59 74.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.14 -95.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.198 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.379 -0.819 . . . . 0.0 110.945 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.56 HG23 ' HB2' ' A' ' 8' ' ' SER . 16.2 m . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.647 0.261 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.467 ' HB2' ' H ' ' A' ' 3' ' ' CYS . 56.8 Cg_endo -70.58 -148.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.553 2.169 . . . . 0.0 112.206 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.467 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 4.7 t 67.07 -80.81 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.194 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.12 9.2 1.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.082 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 62.74 -176.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.484 HG11 ' HG ' ' A' ' 7' ' ' SER . 86.2 t 61.42 -81.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.086 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.484 ' HG ' HG11 ' A' ' 6' ' ' VAL . 39.4 m -121.9 99.24 6.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.593 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.56 ' HB2' HG23 ' A' ' 1' ' ' VAL . 50.4 m -151.28 -174.97 4.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.037 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.528 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 1.2 m -84.53 160.12 57.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.81 178.32 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.929 2.419 . . . . 0.0 112.154 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -72.72 83.22 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.5 t -175.61 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.715 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.528 ' OD1' ' HB3' ' A' ' 9' ' ' CYS . 1.2 p30 -89.3 -176.44 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.61 HG21 ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.295 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -97.52 154.32 17.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 t -140.2 148.9 42.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.63 169.87 17.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.73 -4.06 15.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.015 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 55.43 34.9 23.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.1 p -149.89 -28.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 140.56 -8.1 2.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.558 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.78 177.47 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -135.29 139.99 44.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.46 135.47 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.609 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.96 139.14 32.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.54 85.38 7.28 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.61 ' HA ' HG21 ' A' ' 14' ' ' THR . 72.0 Cg_endo -77.43 139.9 18.81 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.656 2.237 . . . . 0.0 112.75 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.84 68.63 79.45 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.407 ' HD3' ' C ' ' A' ' 27' ' ' PRO . 12.9 Cg_exo -69.76 71.76 1.49 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.089 2.526 . . . . 0.0 112.126 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -51.93 150.83 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.062 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.68 139.96 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.221 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.551 HG11 ' HG2' ' A' ' 42' ' ' PRO . 86.5 t -95.08 130.78 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.008 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.718 ' HA ' ' HB2' ' A' ' 53' ' ' CYS . 12.9 p -151.49 165.63 33.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.018 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 p -114.4 143.61 44.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.89 -20.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -118.84 -18.12 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -135.46 96.88 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -76.31 161.9 28.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.779 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 57.68 23.01 8.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 140.52 24.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.727 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.62 135.49 2.78 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.162 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HG2' HG11 ' A' ' 32' ' ' VAL . 95.7 Cg_endo -82.25 -169.27 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.682 2.254 . . . . 0.0 112.135 179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 54.75 -95.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.86 34.29 0.16 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.382 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.43 173.7 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -140.21 141.77 35.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.67 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.9 m -92.93 123.52 36.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.526 ' H ' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -103.67 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.463 -179.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.63 -96.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.419 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -128.4 114.59 17.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.92 -119.52 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.74 178.91 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.718 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -90.8 107.93 19.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.714 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -97.77 158.53 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.31 120.24 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.86 172.01 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.84 -5.18 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 55.18 68.42 0.87 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' O ' HD23 ' A' ' 60' ' ' LEU . . . -85.42 -79.67 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.175 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -153.23 8.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.173 0.511 . . . . 0.0 110.687 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.79 92.62 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 57.37 89.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -70.27 161.97 29.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -138.0 169.78 17.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 111.169 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.16 171.29 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -2.36 37.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.1 m170 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.873 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.712 0.291 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -71.6 75.3 2.06 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.81 2.34 . . . . 0.0 112.243 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.752 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -59.54 126.12 26.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.52 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.09 -52.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.244 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -144.89 -47.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.359 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -117.34 21.09 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.987 0.423 . . . . 0.0 111.368 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -140.91 166.29 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.752 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 2.1 p -157.74 162.49 38.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 162.72 49.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.55 174.84 8.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.319 2.013 . . . . 0.0 112.446 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.44 171.4 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 65.35 4.08 2.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.245 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -140.73 -174.97 4.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.824 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.43 HG22 ' O ' ' A' ' 26' ' ' CYS . 2.9 t -159.29 135.92 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.993 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -89.46 107.95 19.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.78 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.78 144.62 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 22.9 tt0 -96.31 158.47 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 1.5 mt -99.74 -119.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -149.29 -31.54 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.818 0.342 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.83 67.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.38 21.7 1.79 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.2 169.1 10.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.729 0.3 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -116.42 166.29 12.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.5 123.09 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.702 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.48 149.62 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.726 0.298 . . . . 0.0 110.611 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.43 ' O ' HG22 ' A' ' 14' ' ' THR . 22.1 p -146.01 136.37 12.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.324 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.14 163.69 30.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.602 2.202 . . . . 0.0 112.117 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.6 mm 53.78 71.69 1.32 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.403 ' HB3' HG23 ' A' ' 14' ' ' THR . 22.1 Cg_exo -65.44 -165.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.772 2.315 . . . . 0.0 112.213 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -65.05 103.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.8 84.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 m 33.69 50.51 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.067 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 p -134.48 141.66 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.852 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -146.26 167.02 24.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m 59.48 176.9 0.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.86 78.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.96 -80.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.11 96.49 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.979 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 54.82 73.99 0.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.51 ' HB2' ' H ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -100.22 -153.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.078 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.51 ' H ' ' HB2' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -56.84 143.72 69.27 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.522 ' HD2' ' HD2' ' A' ' 45' ' ' TYR . 90.4 Cg_endo -81.67 -148.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.597 2.198 . . . . 0.0 112.205 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.464 ' H ' ' HB2' ' A' ' 42' ' ' PRO . 10.6 pt20 -93.27 62.36 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.63 49.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.64 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.687 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 2.0 m-85 -158.67 160.24 36.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.645 0.259 . . . . 0.0 110.592 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -134.13 131.44 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.486 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 p -89.76 147.04 24.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.54 143.1 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.259 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 -163.76 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.02 18.65 55.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.749 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -93.53 165.68 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.794 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 1.2 p -137.54 122.21 18.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.8 167.79 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.46 152.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.78 -71.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.88 127.88 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.343 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 57.39 -98.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.21 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.62 167.05 29.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.87 0.367 . . . . 0.0 111.039 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 29.89 7.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.16 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -163.46 -166.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.778 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -135.29 125.05 25.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.491 ' HD1' ' H ' ' A' ' 65' ' ' HIS . 1.7 t-80 57.74 -174.4 0.08 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.441 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.491 ' H ' ' HD1' ' A' ' 64' ' ' HIS . 1.6 m80 -107.93 67.8 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.802 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 m80 54.46 37.55 27.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.967 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.571 HG12 ' HA ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.634 0.254 . . . . 0.0 111.098 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.416 ' HB2' ' H ' ' A' ' 3' ' ' CYS . 96.1 Cg_endo -85.53 -142.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.709 2.272 . . . . 0.0 111.941 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER -175.64 34.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 179.739 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.62 -32.43 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -158.92 -58.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.52 116.69 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.545 ' HB3' HG23 ' A' ' 1' ' ' VAL . 1.4 m -138.75 -174.91 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.66 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.506 ' C ' HG22 ' A' ' 1' ' ' VAL . 0.1 OUTLIER -144.47 84.07 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.571 ' HA ' HG12 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -91.36 163.17 29.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.787 179.03 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.15 150.54 13.73 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.163 1.908 . . . . 0.0 112.406 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -56.03 168.88 0.43 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.075 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.51 35.63 26.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.66 118.96 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -90.93 168.25 11.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 12.9 p -113.8 135.74 53.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.58 168.9 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.496 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 32.2 tt0 -94.44 155.56 16.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.496 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 5.1 mt -103.82 -167.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 p -103.0 -8.39 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 m -93.9 9.95 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.031 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.03 32.04 45.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -125.16 -171.64 2.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -139.22 146.24 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.763 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.65 157.22 28.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.552 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -85.01 123.1 30.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.725 0.298 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.479 ' HB3' HD13 ' A' ' 28' ' ' ILE . 65.9 m -84.4 149.41 54.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -84.7 20.47 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.701 2.268 . . . . 0.0 112.769 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.479 HD13 ' HB3' ' A' ' 26' ' ' CYS . 0.1 OUTLIER -120.93 79.11 32.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.4 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.91 -140.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.708 2.272 . . . . 0.0 112.025 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.26 166.29 0.11 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.102 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.41 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.767 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.672 ' HB ' ' HA2' ' A' ' 44' ' ' GLY . 20.6 t -75.49 131.9 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.962 0.411 . . . . 0.0 111.42 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 t -138.77 -58.42 0.62 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.67 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 58.87 98.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.345 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.1 p -73.73 -53.33 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.639 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.483 ' HB2' ' H ' ' A' ' 37' ' ' HIS . 0.5 OUTLIER 54.65 -97.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.231 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.483 ' H ' ' HB2' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -152.14 -56.69 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.821 0.343 . . . . 0.0 110.639 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.36 -166.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.662 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -138.95 127.69 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 p -157.6 5.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.678 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.24 156.66 54.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.767 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.78 -146.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.728 2.285 . . . . 0.0 112.177 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -119.63 154.25 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.637 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.672 ' HA2' ' HB ' ' A' ' 32' ' ' VAL . . . 63.66 27.51 71.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.147 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.589 ' HA ' ' HA ' ' A' ' 55' ' ' LYS . 21.0 p90 -94.73 -174.75 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.024 0.44 . . . . 0.0 111.436 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m -114.43 137.44 51.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.7 m -104.69 116.9 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -88.21 171.54 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.13 -172.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.71 53.15 4.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.545 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -152.98 165.09 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.051 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.445 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . 1.6 p -145.62 169.59 18.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.745 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -167.9 129.17 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 111.474 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -83.56 171.88 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.865 179.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.483 ' H ' ' HG2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -107.36 153.88 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.765 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.74 -40.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.77 -70.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.31 135.05 33.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.194 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.59 67.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.29 139.77 38.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.062 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -118.31 -164.06 1.0 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -57.01 -68.35 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -164.46 147.65 9.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.601 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -114.9 -80.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 57.81 52.27 8.26 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.01 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.611 ' HB ' ' HD2' ' A' ' 2' ' ' PRO . 12.1 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.49 0.186 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.611 ' HD2' ' HB ' ' A' ' 1' ' ' VAL . 33.0 Cg_endo -63.61 -11.74 27.75 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.639 2.226 . . . . 0.0 112.404 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.6 m 64.21 1.69 1.29 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.885 179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.66 172.41 2.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.494 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 65.08 -76.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.872 179.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 7' ' ' SER . 12.9 m -128.88 -150.0 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.65 -0.13 . . . . 0.0 110.65 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.423 ' N ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -145.56 84.24 1.68 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.417 ' H ' ' HD3' ' A' ' 2' ' ' PRO . 2.5 m -166.95 84.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.033 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.53 ' HB2' ' N ' ' A' ' 2' ' ' PRO . 1.3 m -151.34 84.4 5.23 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.58 -174.09 1.69 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.339 2.693 . . . . 0.0 112.453 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p -50.62 166.68 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.53 15.18 6.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.503 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.14 116.27 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.439 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.49 154.49 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.354 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.19 126.5 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.725 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -140.86 167.52 21.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.09 157.55 22.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.93 -167.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -116.47 14.37 15.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -120.27 -21.36 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.01 23.03 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.611 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.46 -175.44 3.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -121.83 148.23 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.752 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.12 30.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.632 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.42 136.43 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.289 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.611 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -93.04 130.43 36.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 31.4 Cg_exo -61.49 -19.5 64.77 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.501 2.134 . . . . 0.0 112.493 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.7 mm -120.31 104.21 43.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.82 80.52 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.711 2.274 . . . . 0.0 112.183 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.32 153.18 38.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.62 116.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.391 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.51 -15.38 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.179 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 58.3 -149.33 0.46 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' HB3' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER 66.24 148.34 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.982 0.42 . . . . 0.0 111.24 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 t -134.5 107.09 7.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -83.18 113.91 20.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -112.89 28.72 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.808 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -125.41 -74.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.23 -177.61 3.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.95 106.73 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.0 m -125.95 133.35 24.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.6 172.98 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.472 2.115 . . . . 0.0 112.224 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 51.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.46 15.29 2.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.616 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -141.62 174.55 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.547 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 1.1 m -123.7 155.38 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.336 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -87.5 87.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.25 -176.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 171.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.47 13.45 5.09 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.64 57.7 16.51 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.761 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.56 150.6 51.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.547 ' HA ' ' O ' ' A' ' 46' ' ' THR . 10.2 m -103.1 113.79 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.529 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 1.5 tt0 -156.6 153.44 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.609 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.529 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 4.5 tptm -77.69 154.0 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.739 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -104.35 159.92 15.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.11 -25.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.62 140.78 49.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.73 72.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mp -104.75 -165.53 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HB3' ' H ' ' A' ' 62' ' ' HIS . 2.5 tt0 -67.41 -80.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.41 ' H ' ' HB3' ' A' ' 61' ' ' GLU . 2.4 m80 -146.83 -172.0 3.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -87.98 68.28 9.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.793 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.431 ' HD1' ' HA ' ' A' ' 64' ' ' HIS . 0.1 OUTLIER -126.25 64.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.434 ' HB3' ' H ' ' A' ' 66' ' ' HIS . 0.8 OUTLIER 55.18 -157.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.896 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.434 ' H ' ' HB3' ' A' ' 65' ' ' HIS . 11.1 m-70 -89.14 155.53 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.86 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.957 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.676 0.274 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -86.18 106.23 0.8 Allowed 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.646 2.231 . . . . 0.0 112.494 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -136.63 74.14 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.97 -162.02 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.314 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.453 ' C ' ' H ' ' A' ' 7' ' ' SER . 39.7 t30 -115.93 158.24 23.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 t 69.56 -10.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.606 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -122.48 106.76 11.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.79 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -115.74 149.92 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 154.79 37.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.552 ' HD2' ' OD1' ' A' ' 13' ' ' ASP . 85.3 Cg_endo -84.08 -178.96 3.73 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.484 2.123 . . . . 0.0 112.456 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -82.42 7.73 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -97.37 3.36 51.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.038 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.816 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . 2.3 p30 -154.3 -174.97 5.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.027 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 t -132.26 148.97 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 111.01 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 161.29 13.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -99.15 149.38 23.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -118.63 156.05 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 t -70.87 -15.19 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -76.19 0.51 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.03 -0.22 87.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -107.79 168.39 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.804 0.335 . . . . 0.0 110.692 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -118.66 145.26 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.5 173.06 21.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.67 132.04 56.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -166.44 96.65 0.73 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.816 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 84.1 Cg_endo -81.17 52.6 4.39 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.229 . . . . 0.0 112.123 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.652 ' N ' ' HD3' ' A' ' 29' ' ' PRO . 1.1 mt 50.77 54.33 15.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.652 ' HD3' ' N ' ' A' ' 28' ' ' ILE . 6.1 Cg_exo -78.17 45.61 1.87 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.836 2.357 . . . . 0.0 112.262 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -143.54 131.03 21.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.12 -174.78 5.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.762 ' HB ' HD11 ' A' ' 56' ' ' LEU . 26.8 m -86.06 38.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.041 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.4 m 62.11 90.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.265 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.3 t -168.88 -29.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.058 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.7 p 47.42 77.51 0.09 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.49 -172.66 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.816 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.39 -76.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.035 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -69.36 -67.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -78.9 78.99 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.767 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -100.98 153.32 19.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.591 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 64.3 m -97.35 165.27 16.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.683 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.591 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 74.0 Cg_endo -75.33 44.94 1.3 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.546 2.164 . . . . 0.0 112.929 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 63.44 156.76 0.06 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.074 0.464 . . . . 0.0 111.672 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.64 25.89 64.03 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.894 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.562 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 39.2 m-85 -147.51 141.5 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.738 0.304 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.405 ' OG1' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -98.95 147.37 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.397 -179.758 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 106.12 18.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 1.2 p -119.78 168.73 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 58.13 -168.71 0.13 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.263 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -96.51 74.16 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.62 20.72 8.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.842 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -112.05 -178.02 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.821 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.562 ' SG ' ' HB3' ' A' ' 45' ' ' TYR . 22.8 t -165.18 119.88 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.269 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 147.05 51.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.549 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HG2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -60.78 171.85 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.24 -179.595 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.762 HD11 ' HB ' ' A' ' 32' ' ' VAL . 0.0 OUTLIER -104.6 -159.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.109 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB2' ' H ' ' A' ' 58' ' ' ALA . . . -71.84 -153.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.222 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' H ' ' HB2' ' A' ' 57' ' ' ALA . . . 58.47 59.39 2.98 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.066 -179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.72 -60.64 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp 57.34 84.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.206 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.55 -72.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.761 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -130.87 -160.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.608 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.7 m80 65.98 -77.94 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.341 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.38 -178.75 0.18 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.948 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.7 m80 59.4 98.39 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.62 -30.29 29.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.95 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . 0.47 HG13 ' HB3' ' A' ' 9' ' ' CYS . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.675 0.274 . . . . 0.0 111.238 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.1 143.1 97.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.499 2.133 . . . . 0.0 112.097 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.49 ' HB3' ' H ' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -160.77 -110.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.183 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.49 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 10.7 p-10 -158.75 -148.58 0.19 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.619 0.247 . . . . 0.0 110.76 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -27.35 50.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.85 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.22 83.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -84.28 102.12 12.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.5 p -130.9 99.03 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.47 ' HB3' HG13 ' A' ' 1' ' ' VAL . 0.1 OUTLIER -159.3 147.19 13.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' A' ' 9' ' ' CYS . 1.1 Cg_endo -84.26 167.67 12.08 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.074 2.516 . . . . 0.0 112.26 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 160.58 12.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m 55.71 29.3 13.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -147.11 166.15 27.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -134.43 143.07 47.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.18 140.49 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.0 p -132.9 162.16 32.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.13 161.61 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.54 163.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.53 28.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -128.16 17.68 6.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.735 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.75 25.68 72.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.662 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -135.94 162.85 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -106.49 149.44 27.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.8 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.76 -174.82 16.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.411 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.3 m -121.17 138.75 54.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 t -127.97 136.41 28.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 17.1 Cg_exo -67.67 -172.6 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.831 2.354 . . . . 0.0 112.521 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.9 tt 36.13 76.08 0.47 Allowed Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -90.82 41.38 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.035 2.49 . . . . 0.0 112.56 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -178.17 175.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.662 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.23 -50.69 3.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.507 ' H ' HG23 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -98.9 65.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.054 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.51 150.01 26.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.578 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 34.5 t -149.67 -14.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.7 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 11.7 p -68.49 179.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -139.56 -45.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -155.05 -34.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.43 171.61 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.9 126.75 30.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.7 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 7.0 p -114.3 179.18 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.523 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 4.0 m -88.2 161.73 42.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 17.5 Cg_endo -57.27 178.77 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.619 2.213 . . . . 0.0 112.511 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 140.38 52.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.99 -38.61 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.759 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.482 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 95.3 m-85 -84.85 150.14 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.527 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -115.27 177.84 4.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.78 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.45 ' HB3' ' HB3' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -112.47 133.22 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.595 ' H ' ' HA ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -177.75 178.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 63.61 -166.87 0.22 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.71 -19.63 41.64 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.38 -128.66 3.78 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.088 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.595 ' HA ' ' H ' ' A' ' 48' ' ' VAL . 2.2 pt20 -164.34 83.94 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.691 0.281 . . . . 0.0 110.997 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -179.77 101.36 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -154.56 132.72 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.688 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 169.93 8.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -178.42 5.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.94 -167.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.93 -1.01 57.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.67 83.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.198 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 59.07 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 66.57 138.45 0.03 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.084 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -156.28 -1.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.804 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -127.67 0.3 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 54.62 69.94 0.67 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.72 163.01 29.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.057 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -169.24 125.89 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.833 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . 0.407 ' HD1' ' HA ' ' A' ' 67' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.645 0.259 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.33 20.06 0.59 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.917 2.411 . . . . 0.0 112.33 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.623 ' HA ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t 60.97 14.25 5.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -154.51 -167.65 2.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.401 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 53.22 56.43 7.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t 59.49 34.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.24 161.47 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.683 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.623 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.3 p -154.68 170.57 21.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.083 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.43 ' SG ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -86.08 153.14 56.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 91.5 Cg_endo -83.78 177.07 6.44 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.57 2.18 . . . . 0.0 112.256 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 174.59 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.007 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.4 m 56.11 35.49 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.87 172.7 18.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.91 134.22 46.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -116.1 129.78 56.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 -178.59 5.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.068 0.461 . . . . 0.0 111.372 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.1 167.69 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 3.6 mt -133.65 141.24 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -74.31 1.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.5 m -80.23 -28.13 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.17 -9.89 5.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.661 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 22.5 mt-10 -129.04 -170.71 2.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -103.91 156.1 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.41 178.11 35.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.739 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.1 m -113.14 158.06 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.963 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.43 147.76 38.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.598 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -37.1 121.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.983 2.455 . . . . 0.0 112.766 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 16.7 tt -47.36 133.61 9.84 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.551 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 8.5 Cg_exo -72.34 68.33 3.45 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.053 2.502 . . . . 0.0 112.166 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.75 -175.57 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.51 -46.85 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.764 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.43 ' C ' ' H ' ' A' ' 43' ' ' GLN . 2.7 m -123.13 117.83 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.527 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.715 ' N ' ' HB2' ' A' ' 43' ' ' GLN . 2.8 p -138.46 120.31 15.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.246 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.9 t -86.77 -25.74 24.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m 64.44 157.81 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.338 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -168.69 -175.19 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.883 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.31 -14.17 11.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.773 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.98 -67.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -168.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -143.48 68.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 140.61 22.15 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.425 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 77.1 Cg_endo -90.67 175.55 2.6 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.938 2.425 . . . . 0.0 112.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.715 ' HB2' ' N ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.8 -3.2 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.469 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.493 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -60.81 -7.28 7.9 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.527 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.492 ' HB3' ' N ' ' A' ' 54' ' ' GLN . 14.9 m-85 -141.26 174.17 10.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.601 ' H ' ' C ' ' A' ' 54' ' ' GLN . 52.8 m -98.4 125.83 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.394 . . . . 0.0 110.156 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 90.33 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.031 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.05 162.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.008 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.92 -90.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.334 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -144.16 -104.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 0.0 111.064 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.4 19.66 17.76 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.809 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -97.59 126.32 42.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.65 124.09 37.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.601 ' C ' ' H ' ' A' ' 46' ' ' THR . 33.3 tt0 -157.21 118.45 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.384 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.493 ' HG3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -74.92 -161.16 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HG ' ' C ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER 65.78 -169.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.944 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 60.21 30.94 20.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.5 18.92 10.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.179 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 62.17 103.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.26 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mp -120.92 155.43 34.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.24 146.79 34.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -99.47 89.52 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -60.06 144.41 49.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.86 98.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -98.66 -177.08 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -75.46 162.11 28.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.5 p80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.894 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.83 0.348 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.71 8.09 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -82.01 -52.77 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -174.97 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.56 100.34 31.86 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.17 166.3 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.02 2.48 . . . . 0.0 112.101 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m 57.48 -167.62 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -74.27 82.14 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.67 176.8 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.57 142.48 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 122.55 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.96 149.36 30.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -92.46 161.62 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -124.5 -167.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -115.61 30.71 7.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.418 . . . . 0.0 111.079 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -137.08 18.33 2.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.97 15.39 78.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.595 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 7.9 tt0 -120.76 147.83 44.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -109.36 141.08 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.32 -174.82 13.8 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.437 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.29 143.55 31.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 127.77 49.39 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.983 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.54 8.77 4.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.684 2.256 . . . . 0.0 112.677 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.336 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.608 0.242 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.49 -157.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.551 2.168 . . . . 0.0 112.294 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -85.21 20.09 2.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.21 -16.77 45.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -133.28 172.69 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -102.51 151.02 22.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -88.25 102.53 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.4 t -105.03 142.16 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.07 151.44 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.34 72.31 0.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.38 -113.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -174.9 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 96.3 m -85.48 135.16 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.82 145.8 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.529 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.72 168.06 10.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.986 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.18 -3.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.34 109.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.217 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 105.89 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.707 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 p -146.84 84.99 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -92.52 140.85 24.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.473 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 1.1 Cg_endo -84.45 177.6 5.62 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.116 2.544 . . . . 0.0 112.243 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.93 31.81 21.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m 54.14 37.69 27.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -85.5 -176.46 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.23 149.46 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.829 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -101.9 135.68 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.08 154.96 50.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.11 157.74 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 mt -106.49 -87.25 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -123.3 -67.25 0.95 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.11 107.92 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.65 -6.03 71.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.845 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.59 130.41 54.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -114.13 138.25 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.92 140.19 9.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.0 143.31 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 124.96 72.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.29 -29.0 86.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.593 2.195 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 15.5 m . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 120.591 0.234 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 41' ' ' CYS . 82.4 Cg_endo -90.01 170.66 4.11 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.799 2.333 . . . . 0.0 112.442 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 55.0 29.59 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.42 130.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.743 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 1.8 m-85 -143.2 165.8 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.754 0.312 . . . . 0.0 110.769 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.31 125.61 51.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.0 116.79 23.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.49 135.54 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.17 17.29 3.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.519 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 52.54 75.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.061 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.51 -79.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.257 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -91.01 143.61 26.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 110.605 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 31.4 p -106.29 134.25 49.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.0 143.75 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.484 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.84 178.64 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.694 0.283 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.59 -25.19 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.5 -16.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 t -113.81 149.38 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -158.04 134.64 9.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 1.2 m -88.52 129.43 49.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD2' ' OD2' ' A' ' 13' ' ' ASP . 85.6 Cg_endo -93.85 163.4 2.21 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.113 2.542 . . . . 0.0 112.228 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.71 -92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -165.04 71.09 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.684 ' HB3' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -122.88 172.04 8.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.549 HG23 ' SG ' ' A' ' 26' ' ' CYS . 2.2 t -97.21 150.68 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -97.16 120.87 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.4 t -120.05 173.44 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -118.95 146.02 45.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.66 174.47 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 p -86.01 4.13 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.08 10.44 35.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.29 -0.38 80.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.14 147.46 40.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -86.29 -179.64 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.76 161.3 27.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.175 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 13' ' ' ASP . 20.7 t -93.94 146.6 23.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 14' ' ' THR . 1.1 p -132.99 97.07 17.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.684 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . 14.5 Cg_exo -69.04 127.14 14.71 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.731 2.287 . . . . 0.0 111.809 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.6 tt . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.267 0.556 . . . . 0.0 111.302 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.657 0.265 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.76 -154.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.641 2.227 . . . . 0.0 112.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.8 144.34 50.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.47 -45.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.584 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -93.26 159.44 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.596 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -137.0 152.67 50.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.315 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.3 m -84.68 91.0 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.58 143.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.22 98.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 58.88 -162.87 0.23 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -86.46 73.54 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.45 177.78 7.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 0.0 110.897 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 46' ' ' THR . 75.8 m -141.29 119.77 12.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -144.65 167.69 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 128.96 34.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 -179.842 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.513 0.197 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 62.74 -176.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.2 t 61.42 -81.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.086 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -121.9 99.24 6.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.593 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -151.28 -174.97 4.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 1.2 m -84.53 160.12 57.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.81 178.32 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.929 2.419 . . . . 0.0 112.154 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -72.72 83.22 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.5 t -175.61 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.715 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' A' ' 9' ' ' CYS . 1.2 p30 -89.3 -176.44 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.295 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -97.52 154.32 17.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 t -140.2 148.9 42.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.63 169.87 17.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.73 -4.06 15.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.015 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 55.43 34.9 23.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.1 p -149.89 -28.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 140.56 -8.1 2.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.558 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.78 177.47 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -135.29 139.99 44.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.46 135.47 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.609 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.96 139.14 32.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.54 85.38 7.28 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HB3' ' CB ' ' A' ' 13' ' ' ASP . 72.0 Cg_endo -77.43 139.9 18.81 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.656 2.237 . . . . 0.0 112.75 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.663 0.268 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.25 -169.27 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.682 2.254 . . . . 0.0 112.135 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 54.75 -95.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.86 34.29 0.16 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.382 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.43 173.7 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -140.21 141.77 35.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.67 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.9 m -92.93 123.52 36.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.67 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.463 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.63 -96.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.419 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -128.4 114.59 17.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.92 -119.52 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.74 178.91 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 46' ' ' THR . 0.1 OUTLIER -90.8 107.93 19.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.714 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -97.77 158.53 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.31 120.24 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.676 0.274 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -144.89 -47.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.359 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 6' ' ' VAL . 7.2 p -117.34 21.09 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.987 0.423 . . . . 0.0 111.368 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -140.91 166.29 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -157.74 162.49 38.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 162.72 49.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.55 174.84 8.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.319 2.013 . . . . 0.0 112.446 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.44 171.4 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 65.35 4.08 2.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.245 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -140.73 -174.97 4.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.824 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -159.29 135.92 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.993 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -89.46 107.95 19.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.78 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.78 144.62 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 22.9 tt0 -96.31 158.47 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 1.5 mt -99.74 -119.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -149.29 -31.54 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.818 0.342 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.83 67.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.38 21.7 1.79 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.2 169.1 10.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.729 0.3 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -116.42 166.29 12.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.5 123.09 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.702 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.48 149.62 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.726 0.298 . . . . 0.0 110.611 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -146.01 136.37 12.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.324 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.14 163.69 30.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.602 2.202 . . . . 0.0 112.117 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.016 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.609 0.243 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD2' ' HD2' ' A' ' 45' ' ' TYR . 90.4 Cg_endo -81.67 -148.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.597 2.198 . . . . 0.0 112.205 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' H ' ' HG2' ' A' ' 43' ' ' GLN . 10.6 pt20 -93.27 62.36 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.63 49.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.64 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.693 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 2.0 m-85 -158.67 160.24 36.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.645 0.259 . . . . 0.0 110.592 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -134.13 131.44 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.486 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.9 p -89.76 147.04 24.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.54 143.1 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.259 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 -163.76 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.02 18.65 55.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.749 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 31.3 mm-40 -93.53 165.68 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 1.2 p -137.54 122.21 18.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.8 167.79 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.46 152.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.878 0.37 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -158.92 -58.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.52 116.69 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -138.75 -174.91 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.66 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.47 84.07 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 163.17 29.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.787 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.15 150.54 13.73 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.163 1.908 . . . . 0.0 112.406 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -56.03 168.88 0.43 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.075 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.51 35.63 26.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.66 118.96 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -90.93 168.25 11.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 12.9 p -113.8 135.74 53.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.58 168.9 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.497 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 32.2 tt0 -94.44 155.56 16.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 5.1 mt -103.82 -167.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 p -103.0 -8.39 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 m -93.9 9.95 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.031 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.03 32.04 45.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -125.16 -171.64 2.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -139.22 146.24 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.763 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.65 157.22 28.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.552 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -85.01 123.1 30.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.725 0.298 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.4 149.41 54.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -84.7 20.47 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.701 2.268 . . . . 0.0 112.769 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.4 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.529 0.204 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.78 -146.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.728 2.285 . . . . 0.0 112.177 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -119.63 154.25 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.637 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.66 27.51 71.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.147 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 55' ' ' LYS . 21.0 p90 -94.73 -174.75 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.024 0.44 . . . . 0.0 111.436 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m -114.43 137.44 51.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.7 m -104.69 116.9 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -88.21 171.54 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' H ' HG12 ' A' ' 48' ' ' VAL . . . -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.13 -172.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.71 53.15 4.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.545 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -152.98 165.09 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.051 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . 1.6 p -145.62 169.59 18.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.745 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -167.9 129.17 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 111.474 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -83.56 171.88 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.865 179.664 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' H ' ' HG2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.765 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.415 ' OD1' HG13 ' A' ' 6' ' ' VAL . 11.5 t-20 65.08 -76.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.872 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 7' ' ' SER . 12.9 m -128.88 -150.0 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.65 -0.13 . . . . 0.0 110.65 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.488 ' N ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -145.56 84.24 1.68 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -166.95 84.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.033 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -151.34 84.4 5.23 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.58 -174.09 1.69 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.339 2.693 . . . . 0.0 112.453 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p -50.62 166.68 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.53 15.18 6.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.503 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.14 116.27 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.439 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.49 154.49 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.354 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.19 126.5 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.725 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -140.86 167.52 21.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.09 157.55 22.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.93 -167.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -116.47 14.37 15.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -120.27 -21.36 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.01 23.03 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.611 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.46 -175.44 3.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -121.83 148.23 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.752 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.12 30.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.632 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.42 136.43 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.289 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.624 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -93.04 130.43 36.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 31.4 Cg_exo -61.49 -19.5 64.77 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.501 2.134 . . . . 0.0 112.493 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 -179.838 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.536 0.208 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.6 172.98 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.472 2.115 . . . . 0.0 112.224 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 51.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.46 15.29 2.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.616 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -141.62 174.55 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 1.1 m -123.7 155.38 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.336 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -87.5 87.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.25 -176.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 171.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.47 13.45 5.09 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.64 57.7 16.51 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.761 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.56 150.6 51.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 46' ' ' THR . 10.2 m -103.1 113.79 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 1.5 tt0 -156.6 153.44 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.609 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 4.5 tptm -77.69 154.0 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.739 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 7' ' ' SER . 39.7 t30 -115.93 158.24 23.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 t 69.56 -10.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.606 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -122.48 106.76 11.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.79 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -115.74 149.92 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 154.79 37.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.534 ' HD2' ' OD1' ' A' ' 13' ' ' ASP . 85.3 Cg_endo -84.08 -178.96 3.73 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.484 2.123 . . . . 0.0 112.456 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -82.42 7.73 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -97.37 3.36 51.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.038 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.835 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . 2.3 p30 -154.3 -174.97 5.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.027 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 27' ' ' PRO . 2.8 t -132.26 148.97 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 111.01 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 161.29 13.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -99.15 149.38 23.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -118.63 156.05 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 t -70.87 -15.19 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -76.19 0.51 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.03 -0.22 87.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -107.79 168.39 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.804 0.335 . . . . 0.0 110.692 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -118.66 145.26 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.5 173.06 21.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.67 132.04 56.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -166.44 96.65 0.73 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.835 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 84.1 Cg_endo -81.17 52.6 4.39 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.229 . . . . 0.0 112.123 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.294 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 64.3 m . . . . . 0 CA--C 1.531 0.224 0 CA-C-O 120.374 0.13 . . . . 0.0 110.683 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 74.0 Cg_endo -75.33 44.94 1.3 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.546 2.164 . . . . 0.0 112.929 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 63.44 156.76 0.06 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.074 0.464 . . . . 0.0 111.672 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.64 25.89 64.03 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.894 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.586 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 39.2 m-85 -147.51 141.5 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.738 0.304 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.95 147.37 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.397 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 106.12 18.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 49' ' ' ALA . 1.2 p -119.78 168.73 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . . . 58.13 -168.71 0.13 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.263 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -96.51 74.16 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.62 20.72 8.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.842 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -112.05 -178.02 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.821 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 45' ' ' TYR . 22.8 t -165.18 119.88 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.269 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 147.05 51.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.549 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -60.78 171.85 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.24 -179.595 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.603 HD13 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.109 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.619 0.247 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -27.35 50.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.85 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.22 83.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -84.28 102.12 12.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.5 p -130.9 99.03 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -159.3 147.19 13.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 9' ' ' CYS . 1.1 Cg_endo -84.26 167.67 12.08 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.074 2.516 . . . . 0.0 112.26 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 160.58 12.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m 55.71 29.3 13.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -147.11 166.15 27.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -134.43 143.07 47.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.18 140.49 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.0 p -132.9 162.16 32.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.13 161.61 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.54 163.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.53 28.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -128.16 17.68 6.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.735 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.75 25.68 72.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.662 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -135.94 162.85 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -106.49 149.44 27.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.8 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.76 -174.82 16.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.411 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.3 m -121.17 138.75 54.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 t -127.97 136.41 28.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 17.1 Cg_exo -67.67 -172.6 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.831 2.354 . . . . 0.0 112.521 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.9 tt . . . . . 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 4.0 m . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.556 0.217 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 17.5 Cg_endo -57.27 178.77 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.619 2.213 . . . . 0.0 112.511 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 140.38 52.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.99 -38.61 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.759 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 95.3 m-85 -84.85 150.14 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -115.27 177.84 4.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.78 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' H ' HG22 ' A' ' 46' ' ' THR . 0.5 OUTLIER -112.47 133.22 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.615 ' H ' ' HA ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -177.75 178.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.541 ' H ' HG22 ' A' ' 48' ' ' VAL . . . 63.61 -166.87 0.22 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.71 -19.63 41.64 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.38 -128.66 3.78 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.088 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.615 ' HA ' ' H ' ' A' ' 48' ' ' VAL . 6.7 pt20 -164.34 83.94 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.691 0.281 . . . . 0.0 110.997 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -179.77 101.36 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -154.56 132.72 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.688 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 169.93 8.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.231 0.08 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 53.22 56.43 7.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t 59.49 34.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.24 161.47 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.683 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 p -154.68 170.57 21.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.083 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -86.08 153.14 56.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 91.5 Cg_endo -83.78 177.07 6.44 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.57 2.18 . . . . 0.0 112.256 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 174.59 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.007 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.4 m 56.11 35.49 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.87 172.7 18.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.91 134.22 46.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -116.1 129.78 56.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.713 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 -178.59 5.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.068 0.461 . . . . 0.0 111.372 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.1 167.69 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 3.6 mt -133.65 141.24 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -74.31 1.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.5 m -80.23 -28.13 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.17 -9.89 5.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.661 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 22.5 mt-10 -129.04 -170.71 2.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -103.91 156.1 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.41 178.11 35.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.739 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 64.1 m -113.14 158.06 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.43 147.76 38.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.598 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -37.1 121.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.983 2.455 . . . . 0.0 112.766 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.7 tt . . . . . 0 CA--C 1.531 0.215 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.551 -179.544 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.662 0.268 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -90.67 175.55 2.6 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.938 2.425 . . . . 0.0 112.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -3.2 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.469 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -60.81 -7.28 7.9 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.527 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB3' ' N ' ' A' ' 54' ' ' GLN . 14.9 m-85 -141.26 174.17 10.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 54' ' ' GLN . 52.8 m -98.4 125.83 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.394 . . . . 0.0 110.156 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 90.33 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.031 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.05 162.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.008 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.92 -90.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.334 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -144.16 -104.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 0.0 111.064 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.4 19.66 17.76 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.809 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -97.59 126.32 42.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.65 124.09 37.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.636 ' C ' ' H ' ' A' ' 46' ' ' THR . 33.3 tt0 -157.21 118.45 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.384 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -74.92 -161.16 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.944 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.456 HG12 ' SG ' ' A' ' 3' ' ' CYS . 1.8 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.767 0.318 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.85 100.11 1.18 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.693 2.262 . . . . 0.0 112.612 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' SG ' HG12 ' A' ' 1' ' ' VAL . 0.3 OUTLIER -145.34 65.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.48 -170.85 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.049 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.71 8.09 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -82.01 -52.77 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -174.97 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.56 100.34 31.86 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.17 166.3 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.02 2.48 . . . . 0.0 112.101 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m 57.48 -167.62 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -74.27 82.14 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.441 ' HA ' ' CB ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -141.67 176.8 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -129.57 142.48 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 122.55 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.96 149.36 30.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -92.46 161.62 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -124.5 -167.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -115.61 30.71 7.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.418 . . . . 0.0 111.079 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -137.08 18.33 2.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.97 15.39 78.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.595 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 7.9 tt0 -120.76 147.83 44.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -109.36 141.08 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.32 -174.82 13.8 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.437 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.29 143.55 31.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 127.77 49.39 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.983 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.54 8.77 4.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.684 2.256 . . . . 0.0 112.677 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.01 61.33 57.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.336 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.487 ' HB3' HG22 ' A' ' 14' ' ' THR . 82.8 Cg_endo -88.76 53.48 1.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.758 2.305 . . . . 0.0 112.486 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -145.7 -166.93 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.88 146.31 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.0 m -92.08 -175.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.237 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -159.8 16.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.54 129.67 47.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.114 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 82.8 p -157.22 -29.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.734 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.2 t0 55.33 51.6 12.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 55.92 31.57 18.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.93 87.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.7 -33.29 0.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -126.68 -73.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -118.38 113.68 36.79 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.133 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.49 -157.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.551 2.168 . . . . 0.0 112.294 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -85.21 20.09 2.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.21 -16.77 45.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -133.28 172.69 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -102.51 151.02 22.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -88.25 102.53 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.4 t -105.03 142.16 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.07 151.44 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.34 72.31 0.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.38 -113.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -174.9 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 96.3 m -85.48 135.16 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.82 145.8 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.529 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.72 168.06 10.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.986 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.87 -22.1 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.948 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.97 -169.7 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 56.32 85.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.184 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.76 149.79 46.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.83 34.69 25.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.08 27.48 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.6 m80 58.12 87.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.47 7.89 27.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -99.22 34.43 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.423 ' HB3' ' H ' ' A' ' 66' ' ' HIS . 6.8 m80 -113.67 -143.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.423 ' H ' ' HB3' ' A' ' 65' ' ' HIS . 0.8 OUTLIER 65.55 158.83 0.11 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.873 0.368 . . . . 0.0 111.064 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.927 -179.889 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.634 HG21 ' HD3' ' A' ' 10' ' ' PRO . 91.1 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.554 0.216 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 1' ' ' VAL . 49.8 Cg_exo -56.35 127.32 25.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.556 2.171 . . . . 0.0 112.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -121.39 41.87 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.69 -29.59 59.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.18 -3.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.34 109.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.217 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 105.89 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.707 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 p -146.84 84.99 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -92.52 140.85 24.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.634 ' HD3' HG21 ' A' ' 1' ' ' VAL . 1.1 Cg_endo -84.45 177.6 5.62 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.116 2.544 . . . . 0.0 112.243 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.93 31.81 21.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m 54.14 37.69 27.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -85.5 -176.46 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.23 149.46 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.829 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -101.9 135.68 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.08 154.96 50.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.11 157.74 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 mt -106.49 -87.25 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -123.3 -67.25 0.95 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.11 107.92 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.65 -6.03 71.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.845 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.59 130.41 54.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -114.13 138.25 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.92 140.19 9.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.0 143.31 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 124.96 72.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.29 -29.0 86.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.593 2.195 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.24 108.4 14.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.58 84.59 0.29 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.689 2.259 . . . . 0.0 112.21 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.92 172.24 9.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.86 137.85 40.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG21 ' HA3' ' A' ' 44' ' ' GLY . 15.3 m 33.6 71.64 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.842 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -78.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.285 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.68 147.74 17.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.8 p -149.43 95.98 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.727 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -71.28 110.99 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -93.97 99.63 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -129.55 -54.59 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.25 3.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.307 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB3' ' H ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -165.46 -139.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.204 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 15.5 m 64.66 57.71 1.47 Allowed Pre-proline 0 CA--C 1.53 0.18 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 41' ' ' CYS . 82.4 Cg_endo -90.01 170.66 4.11 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.799 2.333 . . . . 0.0 112.442 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 55.0 29.59 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' HA3' HG21 ' A' ' 32' ' ' VAL . . . 75.42 130.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.743 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 1.8 m-85 -143.2 165.8 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.754 0.312 . . . . 0.0 110.769 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.31 125.61 51.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.0 116.79 23.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.49 135.54 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.17 17.29 3.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.519 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 52.54 75.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.061 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.51 -79.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.257 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -91.01 143.61 26.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 110.605 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 31.4 p -106.29 134.25 49.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.0 143.75 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.484 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.84 178.64 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -91.02 173.6 7.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -129.52 86.96 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.99 9.62 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.97 169.97 9.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.073 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.39 147.95 14.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 59.03 94.69 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.994 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.07 -37.44 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -106.16 -92.28 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.63 129.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.309 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.9 m170 58.37 -161.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -170.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.787 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.2 m80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.831 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.615 0.245 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.08 -36.25 2.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.482 2.121 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.2 t 59.18 -90.67 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -109.83 -168.77 1.37 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.763 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.59 -25.19 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.5 -16.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 t -113.81 149.38 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -158.04 134.64 9.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 1.2 m -88.52 129.43 49.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD2' ' OD2' ' A' ' 13' ' ' ASP . 85.6 Cg_endo -93.85 163.4 2.21 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.113 2.542 . . . . 0.0 112.228 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.71 -92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -165.04 71.09 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.684 ' HB3' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -122.88 172.04 8.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.549 HG23 ' SG ' ' A' ' 26' ' ' CYS . 2.2 t -97.21 150.68 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -97.16 120.87 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.4 t -120.05 173.44 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -118.95 146.02 45.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.66 174.47 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 p -86.01 4.13 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.08 10.44 35.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.29 -0.38 80.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.14 147.46 40.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -86.29 -179.64 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.76 161.3 27.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.175 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 13' ' ' ASP . 20.7 t -93.94 146.6 23.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 14' ' ' THR . 1.1 p -132.99 97.07 17.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.684 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . 14.5 Cg_exo -69.04 127.14 14.71 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.731 2.287 . . . . 0.0 111.809 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.6 tt 35.89 67.35 1.57 Allowed Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 121.267 0.556 . . . . 0.0 111.302 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HG3' ' HB2' ' A' ' 26' ' ' CYS . 17.8 Cg_exo -66.05 -162.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.728 2.286 . . . . 0.0 112.344 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 58.54 79.46 0.21 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.37 -75.37 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.416 ' HB ' ' H ' ' A' ' 33' ' ' CYS . 6.2 t -117.48 -91.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER 57.06 -176.94 0.06 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.244 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -173.04 119.81 0.35 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.71 36.28 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.68 -52.29 32.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -99.94 -55.49 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.04 -177.67 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 63.31 4.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.793 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -15.51 41.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.47 142.28 16.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.76 -154.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.641 2.227 . . . . 0.0 112.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.8 144.34 50.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.47 -45.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.584 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -93.26 159.44 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.596 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -137.0 152.67 50.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.315 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.3 m -84.68 91.0 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.58 143.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.22 98.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 58.88 -162.87 0.23 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -86.46 73.54 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.45 177.78 7.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 0.0 110.897 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 46' ' ' THR . 75.8 m -141.29 119.77 12.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -144.65 167.69 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -83.56 128.96 34.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt -91.03 136.3 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 56.8 40.91 28.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.167 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.678 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . . . -119.26 154.21 33.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.01 86.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.318 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.528 ' HB3' ' H ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER 53.11 -141.13 0.88 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.011 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' H ' ' HB3' ' A' ' 60' ' ' LEU . 10.1 mt-10 65.5 170.96 0.22 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.869 0.366 . . . . 0.0 111.033 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -84.32 178.12 7.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -113.16 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.83 168.27 23.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -111.59 74.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.41 ' HB3' ' H ' ' A' ' 67' ' ' HIS . 0.0 OUTLIER 56.14 -95.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.198 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HIS . . . . . 0.41 ' H ' ' HB3' ' A' ' 66' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.379 -0.819 . . . . 0.0 110.945 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.647 0.261 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' HB2' ' H ' ' A' ' 3' ' ' CYS . 56.8 Cg_endo -70.58 -148.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.553 2.169 . . . . 0.0 112.206 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 4.7 t 67.07 -80.81 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.194 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.12 9.2 1.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.082 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 62.74 -176.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.2 t 61.42 -81.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.086 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -121.9 99.24 6.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.593 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -151.28 -174.97 4.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 1.2 m -84.53 160.12 57.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.81 178.32 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.929 2.419 . . . . 0.0 112.154 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -72.72 83.22 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.5 t -175.61 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.715 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' A' ' 9' ' ' CYS . 1.2 p30 -89.3 -176.44 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.295 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -97.52 154.32 17.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 t -140.2 148.9 42.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.63 169.87 17.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.73 -4.06 15.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.015 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 55.43 34.9 23.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.1 p -149.89 -28.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 140.56 -8.1 2.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.558 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.78 177.47 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -135.29 139.99 44.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.46 135.47 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.609 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.96 139.14 32.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.54 85.38 7.28 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HB3' ' CB ' ' A' ' 13' ' ' ASP . 72.0 Cg_endo -77.43 139.9 18.81 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.656 2.237 . . . . 0.0 112.75 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.84 68.63 79.45 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 27' ' ' PRO . 12.9 Cg_exo -69.76 71.76 1.49 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.089 2.526 . . . . 0.0 112.126 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -51.93 150.83 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.062 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.68 139.96 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.221 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -95.08 130.78 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.008 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.748 ' HA ' ' HB2' ' A' ' 53' ' ' CYS . 12.9 p -151.49 165.63 33.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.018 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 p -114.4 143.61 44.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.89 -20.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -118.84 -18.12 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -135.46 96.88 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -76.31 161.9 28.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.779 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 57.68 23.01 8.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 140.52 24.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.727 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.62 135.49 2.78 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.162 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.25 -169.27 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.682 2.254 . . . . 0.0 112.135 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 54.75 -95.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.86 34.29 0.16 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.382 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.43 173.7 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -140.21 141.77 35.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.67 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.9 m -92.93 123.52 36.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.67 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.463 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.63 -96.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.419 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -128.4 114.59 17.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.92 -119.52 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.74 178.91 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.748 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -90.8 107.93 19.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.714 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -97.77 158.53 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.31 120.24 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.86 172.01 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.84 -5.18 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 55.18 68.42 0.87 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.42 -79.67 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.175 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -153.23 8.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.173 0.511 . . . . 0.0 110.687 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.79 92.62 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 57.37 89.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -70.27 161.97 29.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -138.0 169.78 17.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 111.169 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.16 171.29 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -2.36 37.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.1 m170 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.873 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.437 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.712 0.291 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' H2 ' ' A' ' 1' ' ' VAL . 11.1 Cg_exo -71.6 75.3 2.06 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.81 2.34 . . . . 0.0 112.243 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.776 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -59.54 126.12 26.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.52 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.09 -52.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.244 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -144.89 -47.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.359 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 6' ' ' VAL . 7.2 p -117.34 21.09 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.987 0.423 . . . . 0.0 111.368 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -140.91 166.29 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.776 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 2.1 p -157.74 162.49 38.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 162.72 49.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' HD3' HG21 ' A' ' 1' ' ' VAL . 90.4 Cg_endo -83.55 174.84 8.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.319 2.013 . . . . 0.0 112.446 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.44 171.4 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 65.35 4.08 2.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.245 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -140.73 -174.97 4.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.824 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -159.29 135.92 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.993 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -89.46 107.95 19.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.78 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.78 144.62 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 22.9 tt0 -96.31 158.47 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 1.5 mt -99.74 -119.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -149.29 -31.54 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.818 0.342 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.83 67.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.38 21.7 1.79 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.2 169.1 10.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.729 0.3 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -116.42 166.29 12.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.5 123.09 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.702 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.48 149.62 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.726 0.298 . . . . 0.0 110.611 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -146.01 136.37 12.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.324 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.14 163.69 30.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.602 2.202 . . . . 0.0 112.117 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.6 mm 53.78 71.69 1.32 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.44 -165.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.772 2.315 . . . . 0.0 112.213 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -65.05 103.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.8 84.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 m 33.69 50.51 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.067 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 p -134.48 141.66 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.852 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -146.26 167.02 24.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m 59.48 176.9 0.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.86 78.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.96 -80.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.11 96.49 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.979 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 54.82 73.99 0.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' HB2' ' H ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -100.22 -153.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.078 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.444 ' H ' ' HB2' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -56.84 143.72 69.27 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD2' ' HD2' ' A' ' 45' ' ' TYR . 90.4 Cg_endo -81.67 -148.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.597 2.198 . . . . 0.0 112.205 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' H ' ' HG2' ' A' ' 43' ' ' GLN . 10.6 pt20 -93.27 62.36 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.63 49.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.64 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.693 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 2.0 m-85 -158.67 160.24 36.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.645 0.259 . . . . 0.0 110.592 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -134.13 131.44 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.486 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.9 p -89.76 147.04 24.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.54 143.1 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.259 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 -163.76 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.02 18.65 55.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.749 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 31.3 mm-40 -93.53 165.68 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 1.2 p -137.54 122.21 18.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.8 167.79 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.46 152.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.78 -71.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.88 127.88 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.343 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 57.39 -98.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.21 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.62 167.05 29.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.87 0.367 . . . . 0.0 111.039 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 29.89 7.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.16 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -163.46 -166.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.778 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -135.29 125.05 25.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 57.74 -174.4 0.08 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.441 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -107.93 67.8 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.802 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 m80 54.46 37.55 27.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.967 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.676 HG23 ' HB3' ' A' ' 7' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.634 0.254 . . . . 0.0 111.098 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' HB2' ' H ' ' A' ' 3' ' ' CYS . 96.1 Cg_endo -85.53 -142.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.709 2.272 . . . . 0.0 111.941 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER -175.64 34.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 179.739 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.62 -32.43 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -158.92 -58.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.52 116.69 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.676 ' HB3' HG23 ' A' ' 1' ' ' VAL . 1.4 m -138.75 -174.91 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.66 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.47 84.07 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.601 ' HA ' HG11 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -91.36 163.17 29.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.787 179.03 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.15 150.54 13.73 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.163 1.908 . . . . 0.0 112.406 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -56.03 168.88 0.43 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.075 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.51 35.63 26.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.66 118.96 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -90.93 168.25 11.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 12.9 p -113.8 135.74 53.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.58 168.9 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.497 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 32.2 tt0 -94.44 155.56 16.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 5.1 mt -103.82 -167.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 p -103.0 -8.39 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 m -93.9 9.95 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.031 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.03 32.04 45.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -125.16 -171.64 2.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -139.22 146.24 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.763 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.65 157.22 28.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.552 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -85.01 123.1 30.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.725 0.298 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.4 149.41 54.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -84.7 20.47 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.701 2.268 . . . . 0.0 112.769 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.93 79.11 32.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.4 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HB2' ' H ' ' A' ' 30' ' ' GLU . 61.3 Cg_endo -70.91 -140.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.708 2.272 . . . . 0.0 112.025 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -51.26 166.29 0.11 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.102 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.41 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.767 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.676 ' HB ' ' HA2' ' A' ' 44' ' ' GLY . 20.6 t -75.49 131.9 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.962 0.411 . . . . 0.0 111.42 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 t -138.77 -58.42 0.62 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.67 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 58.87 98.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.345 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.1 p -73.73 -53.33 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.639 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 37' ' ' HIS . 0.5 OUTLIER 54.65 -97.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.231 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.456 ' H ' ' HB2' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -152.14 -56.69 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.821 0.343 . . . . 0.0 110.639 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.36 -166.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.662 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -138.95 127.69 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 p -157.6 5.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.678 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.24 156.66 54.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.767 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.78 -146.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.728 2.285 . . . . 0.0 112.177 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -119.63 154.25 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.637 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.676 ' HA2' ' HB ' ' A' ' 32' ' ' VAL . . . 63.66 27.51 71.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.147 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.6 ' O ' HG11 ' A' ' 32' ' ' VAL . 21.0 p90 -94.73 -174.75 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.024 0.44 . . . . 0.0 111.436 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m -114.43 137.44 51.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.7 m -104.69 116.9 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -88.21 171.54 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' H ' HG12 ' A' ' 48' ' ' VAL . . . -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.13 -172.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.71 53.15 4.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.545 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -152.98 165.09 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.051 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . 1.6 p -145.62 169.59 18.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.745 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -167.9 129.17 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 111.474 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -83.56 171.88 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.865 179.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' H ' ' HG2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -107.36 153.88 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.765 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.74 -40.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.77 -70.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.31 135.05 33.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.194 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.59 67.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.29 139.77 38.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.062 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -118.31 -164.06 1.0 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -57.01 -68.35 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -164.46 147.65 9.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.601 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -114.9 -80.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 57.81 52.27 8.26 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.01 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.613 ' HB ' ' HD2' ' A' ' 2' ' ' PRO . 12.1 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.49 0.186 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.613 ' HD2' ' HB ' ' A' ' 1' ' ' VAL . 33.0 Cg_endo -63.61 -11.74 27.75 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.639 2.226 . . . . 0.0 112.404 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.581 ' H ' HG23 ' A' ' 1' ' ' VAL . 3.6 m 64.21 1.69 1.29 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.885 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.66 172.41 2.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.494 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.415 ' OD1' HG13 ' A' ' 6' ' ' VAL . 11.5 t-20 65.08 -76.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.872 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 7' ' ' SER . 12.9 m -128.88 -150.0 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.65 -0.13 . . . . 0.0 110.65 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.488 ' N ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -145.56 84.24 1.68 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.46 ' H ' ' HD3' ' A' ' 2' ' ' PRO . 2.5 m -166.95 84.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.033 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.535 ' HB2' ' N ' ' A' ' 2' ' ' PRO . 1.3 m -151.34 84.4 5.23 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.58 -174.09 1.69 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.339 2.693 . . . . 0.0 112.453 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p -50.62 166.68 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.53 15.18 6.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.503 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.14 116.27 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.439 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.49 154.49 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.354 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.19 126.5 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.725 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -140.86 167.52 21.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.09 157.55 22.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.93 -167.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -116.47 14.37 15.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -120.27 -21.36 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.01 23.03 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.611 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.46 -175.44 3.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -121.83 148.23 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.752 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.12 30.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.632 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.42 136.43 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.289 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.624 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -93.04 130.43 36.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 31.4 Cg_exo -61.49 -19.5 64.77 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.501 2.134 . . . . 0.0 112.493 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.7 mm -120.31 104.21 43.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.82 80.52 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.711 2.274 . . . . 0.0 112.183 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.32 153.18 38.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.62 116.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.391 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.51 -15.38 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.179 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 58.3 -149.33 0.46 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER 66.24 148.34 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.982 0.42 . . . . 0.0 111.24 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 t -134.5 107.09 7.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -83.18 113.91 20.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -112.89 28.72 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.808 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -125.41 -74.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.23 -177.61 3.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.95 106.73 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.0 m -125.95 133.35 24.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.6 172.98 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.472 2.115 . . . . 0.0 112.224 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 51.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.46 15.29 2.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.616 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -141.62 174.55 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 1.1 m -123.7 155.38 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.336 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -87.5 87.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.25 -176.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 171.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.47 13.45 5.09 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.64 57.7 16.51 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.761 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.56 150.6 51.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 46' ' ' THR . 10.2 m -103.1 113.79 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 1.5 tt0 -156.6 153.44 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.609 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 4.5 tptm -77.69 154.0 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.739 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -104.35 159.92 15.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.11 -25.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.62 140.78 49.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.73 72.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mp -104.75 -165.53 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -67.41 -80.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -146.83 -172.0 3.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -87.98 68.28 9.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.793 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.25 64.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.18 -157.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -89.14 155.53 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.957 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.42 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.676 0.274 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' HD3' ' H2 ' ' A' ' 1' ' ' VAL . 86.4 Cg_endo -86.18 106.23 0.8 Allowed 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.646 2.231 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -136.63 74.14 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.97 -162.02 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.314 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 7' ' ' SER . 39.7 t30 -115.93 158.24 23.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 t 69.56 -10.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.606 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -122.48 106.76 11.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.79 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -115.74 149.92 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 154.79 37.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.534 ' HD2' ' OD1' ' A' ' 13' ' ' ASP . 85.3 Cg_endo -84.08 -178.96 3.73 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.484 2.123 . . . . 0.0 112.456 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -82.42 7.73 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -97.37 3.36 51.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.038 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.835 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . 2.3 p30 -154.3 -174.97 5.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.027 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 27' ' ' PRO . 2.8 t -132.26 148.97 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 111.01 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 161.29 13.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -99.15 149.38 23.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -118.63 156.05 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 t -70.87 -15.19 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -76.19 0.51 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.03 -0.22 87.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -107.79 168.39 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.804 0.335 . . . . 0.0 110.692 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -118.66 145.26 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.5 173.06 21.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.67 132.04 56.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -166.44 96.65 0.73 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.835 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 84.1 Cg_endo -81.17 52.6 4.39 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.229 . . . . 0.0 112.123 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.645 ' N ' ' HD3' ' A' ' 29' ' ' PRO . 1.1 mt 50.77 54.33 15.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.645 ' HD3' ' N ' ' A' ' 28' ' ' ILE . 6.1 Cg_exo -78.17 45.61 1.87 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.836 2.357 . . . . 0.0 112.262 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -143.54 131.03 21.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.12 -174.78 5.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.8 m -86.06 38.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.4 m 62.11 90.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.265 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.3 t -168.88 -29.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.058 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.7 p 47.42 77.51 0.09 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.49 -172.66 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.816 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.39 -76.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.035 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -69.36 -67.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -78.9 78.99 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.767 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -100.98 153.32 19.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 64.3 m -97.35 165.27 16.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.683 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 74.0 Cg_endo -75.33 44.94 1.3 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.546 2.164 . . . . 0.0 112.929 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 63.44 156.76 0.06 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.074 0.464 . . . . 0.0 111.672 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.64 25.89 64.03 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.894 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.586 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 39.2 m-85 -147.51 141.5 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.738 0.304 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.95 147.37 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.397 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 106.12 18.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 49' ' ' ALA . 1.2 p -119.78 168.73 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . . . 58.13 -168.71 0.13 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.263 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -96.51 74.16 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.62 20.72 8.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.842 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -112.05 -178.02 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.821 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 45' ' ' TYR . 22.8 t -165.18 119.88 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.269 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 147.05 51.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.549 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -60.78 171.85 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.24 -179.595 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.603 HD13 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -104.6 -159.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.109 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' H ' ' HB2' ' A' ' 56' ' ' LEU . . . -71.84 -153.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.222 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 58.47 59.39 2.98 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.066 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.72 -60.64 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp 57.34 84.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.206 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.55 -72.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.761 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -130.87 -160.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.608 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.7 m80 65.98 -77.94 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.341 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.38 -178.75 0.18 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.948 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.7 m80 59.4 98.39 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.62 -30.29 29.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.95 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.445 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.675 0.274 . . . . 0.0 111.238 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.445 ' HD3' ' H2 ' ' A' ' 1' ' ' VAL . 32.3 Cg_exo -58.1 143.1 97.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.499 2.133 . . . . 0.0 112.097 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HB3' ' H ' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -160.77 -110.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.183 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 10.7 p-10 -158.75 -148.58 0.19 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.619 0.247 . . . . 0.0 110.76 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -27.35 50.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.85 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.22 83.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -84.28 102.12 12.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.5 p -130.9 99.03 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -159.3 147.19 13.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 9' ' ' CYS . 1.1 Cg_endo -84.26 167.67 12.08 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.074 2.516 . . . . 0.0 112.26 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 160.58 12.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m 55.71 29.3 13.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -147.11 166.15 27.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -134.43 143.07 47.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.18 140.49 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.0 p -132.9 162.16 32.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.13 161.61 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.54 163.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.53 28.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -128.16 17.68 6.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.735 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.75 25.68 72.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.662 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -135.94 162.85 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -106.49 149.44 27.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.8 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.76 -174.82 16.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.411 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.3 m -121.17 138.75 54.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 t -127.97 136.41 28.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 17.1 Cg_exo -67.67 -172.6 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.831 2.354 . . . . 0.0 112.521 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.9 tt 36.13 76.08 0.47 Allowed Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -90.82 41.38 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.035 2.49 . . . . 0.0 112.56 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' OE1' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -178.17 175.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.662 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.23 -50.69 3.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG23 ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -98.9 65.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.054 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.51 150.01 26.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.578 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 34.5 t -149.67 -14.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.724 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 11.7 p -68.49 179.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -139.56 -45.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -155.05 -34.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.43 171.61 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.9 126.75 30.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.724 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 7.0 p -114.3 179.18 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 4.0 m -88.2 161.73 42.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 17.5 Cg_endo -57.27 178.77 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.619 2.213 . . . . 0.0 112.511 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 140.38 52.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.99 -38.61 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.759 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 95.3 m-85 -84.85 150.14 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -115.27 177.84 4.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.78 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' H ' HG22 ' A' ' 46' ' ' THR . 0.5 OUTLIER -112.47 133.22 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.615 ' H ' ' HA ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -177.75 178.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.541 ' H ' HG22 ' A' ' 48' ' ' VAL . . . 63.61 -166.87 0.22 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.71 -19.63 41.64 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.38 -128.66 3.78 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.088 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.615 ' HA ' ' H ' ' A' ' 48' ' ' VAL . 6.7 pt20 -164.34 83.94 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.691 0.281 . . . . 0.0 110.997 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -179.77 101.36 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -154.56 132.72 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.688 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 169.93 8.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -178.42 5.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.94 -167.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.93 -1.01 57.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.67 83.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.198 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 59.07 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 66.57 138.45 0.03 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.084 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -156.28 -1.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.804 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -127.67 0.3 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 54.62 69.94 0.67 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.72 163.01 29.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.057 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -169.24 125.89 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.833 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.645 0.259 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.33 20.06 0.59 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.917 2.411 . . . . 0.0 112.33 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t 60.97 14.25 5.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -154.51 -167.65 2.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.401 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 53.22 56.43 7.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t 59.49 34.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.24 161.47 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.683 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.3 p -154.68 170.57 21.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.083 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -86.08 153.14 56.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 91.5 Cg_endo -83.78 177.07 6.44 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.57 2.18 . . . . 0.0 112.256 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 174.59 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.007 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.4 m 56.11 35.49 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.87 172.7 18.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.91 134.22 46.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -116.1 129.78 56.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.713 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 -178.59 5.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.068 0.461 . . . . 0.0 111.372 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.1 167.69 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 3.6 mt -133.65 141.24 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -74.31 1.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.5 m -80.23 -28.13 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.17 -9.89 5.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.661 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 22.5 mt-10 -129.04 -170.71 2.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -103.91 156.1 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.41 178.11 35.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.739 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 64.1 m -113.14 158.06 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.43 147.76 38.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.598 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -37.1 121.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.983 2.455 . . . . 0.0 112.766 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 16.7 tt -47.36 133.61 9.84 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.551 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 8.5 Cg_exo -72.34 68.33 3.45 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.053 2.502 . . . . 0.0 112.166 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.75 -175.57 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.51 -46.85 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.764 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' C ' ' H ' ' A' ' 43' ' ' GLN . 2.7 m -123.13 117.83 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.527 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.723 ' N ' ' HB2' ' A' ' 43' ' ' GLN . 2.8 p -138.46 120.31 15.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.246 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' H ' ' HA ' ' A' ' 42' ' ' PRO . 4.9 t -86.77 -25.74 24.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m 64.44 157.81 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.338 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -168.69 -175.19 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.883 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.31 -14.17 11.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.773 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.98 -67.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -168.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -143.48 68.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 140.61 22.15 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 77.1 Cg_endo -90.67 175.55 2.6 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.938 2.425 . . . . 0.0 112.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.723 ' HB2' ' N ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.8 -3.2 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.469 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -60.81 -7.28 7.9 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.527 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB3' ' N ' ' A' ' 54' ' ' GLN . 14.9 m-85 -141.26 174.17 10.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 54' ' ' GLN . 52.8 m -98.4 125.83 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.394 . . . . 0.0 110.156 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 90.33 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.031 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.05 162.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.008 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.92 -90.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.334 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -144.16 -104.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 0.0 111.064 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.4 19.66 17.76 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.809 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -97.59 126.32 42.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.65 124.09 37.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.636 ' C ' ' H ' ' A' ' 46' ' ' THR . 33.3 tt0 -157.21 118.45 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.384 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -74.92 -161.16 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER 65.78 -169.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.944 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 60.21 30.94 20.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.5 18.92 10.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.179 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 62.17 103.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.26 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mp -120.92 155.43 34.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.24 146.79 34.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -99.47 89.52 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -60.06 144.41 49.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.86 98.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -98.66 -177.08 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -75.46 162.11 28.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.5 p80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.894 -179.835 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.83 0.348 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.71 8.09 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -82.01 -52.77 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -174.97 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.56 100.34 31.86 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.17 166.3 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.02 2.48 . . . . 0.0 112.101 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m 57.48 -167.62 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -74.27 82.14 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -141.67 176.8 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.57 142.48 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 122.55 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.96 149.36 30.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -92.46 161.62 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -124.5 -167.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -115.61 30.71 7.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.418 . . . . 0.0 111.079 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -137.08 18.33 2.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.97 15.39 78.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.595 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 7.9 tt0 -120.76 147.83 44.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -109.36 141.08 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.32 -174.82 13.8 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.437 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.29 143.55 31.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 127.77 49.39 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.983 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.54 8.77 4.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.684 2.256 . . . . 0.0 112.677 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.336 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.131 0 CA-C-O 120.608 0.242 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.49 -157.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.551 2.168 . . . . 0.0 112.294 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -85.21 20.09 2.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.21 -16.77 45.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -133.28 172.69 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -102.51 151.02 22.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -88.25 102.53 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.4 t -105.03 142.16 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.07 151.44 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.34 72.31 0.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.38 -113.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -174.9 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 96.3 m -85.48 135.16 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.82 145.8 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.529 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.72 168.06 10.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.986 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.948 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.18 -3.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.34 109.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.217 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 105.89 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.707 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 p -146.84 84.99 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -92.52 140.85 24.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.473 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 1.1 Cg_endo -84.45 177.6 5.62 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.116 2.544 . . . . 0.0 112.243 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.93 31.81 21.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m 54.14 37.69 27.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -85.5 -176.46 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.23 149.46 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.829 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -101.9 135.68 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.08 154.96 50.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.11 157.74 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 mt -106.49 -87.25 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -123.3 -67.25 0.95 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.11 107.92 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.65 -6.03 71.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.845 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.59 130.41 54.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -114.13 138.25 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.92 140.19 9.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.0 143.31 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 124.96 72.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.29 -29.0 86.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.593 2.195 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.451 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 15.5 m . . . . . 0 CA--C 1.53 0.18 0 CA-C-O 120.591 0.234 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 41' ' ' CYS . 82.4 Cg_endo -90.01 170.66 4.11 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.799 2.333 . . . . 0.0 112.442 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 55.0 29.59 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.42 130.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.743 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 1.8 m-85 -143.2 165.8 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.754 0.312 . . . . 0.0 110.769 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.31 125.61 51.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.0 116.79 23.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.49 135.54 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.17 17.29 3.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.519 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 52.54 75.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.061 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.51 -79.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.257 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -91.01 143.61 26.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 110.605 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 31.4 p -106.29 134.25 49.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.0 143.75 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.484 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.84 178.64 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 t0 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.694 0.283 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.59 -25.19 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.5 -16.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 t -113.81 149.38 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -158.04 134.64 9.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 1.2 m -88.52 129.43 49.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD2' ' OD2' ' A' ' 13' ' ' ASP . 85.6 Cg_endo -93.85 163.4 2.21 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.113 2.542 . . . . 0.0 112.228 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.71 -92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -165.04 71.09 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.684 ' HB3' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -122.88 172.04 8.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.549 HG23 ' SG ' ' A' ' 26' ' ' CYS . 2.2 t -97.21 150.68 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -97.16 120.87 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.4 t -120.05 173.44 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -118.95 146.02 45.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.66 174.47 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 p -86.01 4.13 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.08 10.44 35.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.29 -0.38 80.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.14 147.46 40.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -86.29 -179.64 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.76 161.3 27.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.175 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 13' ' ' ASP . 20.7 t -93.94 146.6 23.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 14' ' ' THR . 1.1 p -132.99 97.07 17.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.684 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . 14.5 Cg_exo -69.04 127.14 14.71 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.731 2.287 . . . . 0.0 111.809 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.6 tt . . . . . 0 CA--C 1.535 0.387 0 CA-C-O 121.267 0.556 . . . . 0.0 111.302 -179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.657 0.265 . . . . 0.0 111.098 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.76 -154.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.641 2.227 . . . . 0.0 112.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.8 144.34 50.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.47 -45.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.584 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -93.26 159.44 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.596 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -137.0 152.67 50.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.315 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.3 m -84.68 91.0 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.58 143.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.22 98.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 58.88 -162.87 0.23 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -86.46 73.54 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.45 177.78 7.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 0.0 110.897 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 46' ' ' THR . 75.8 m -141.29 119.77 12.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -144.65 167.69 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.56 128.96 34.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 -179.842 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.52 -0.185 0 CA-C-O 120.513 0.197 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 62.74 -176.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.2 t 61.42 -81.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.086 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -121.9 99.24 6.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.593 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -151.28 -174.97 4.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 1.2 m -84.53 160.12 57.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.81 178.32 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.929 2.419 . . . . 0.0 112.154 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -72.72 83.22 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.5 t -175.61 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.715 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' A' ' 9' ' ' CYS . 1.2 p30 -89.3 -176.44 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.295 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -97.52 154.32 17.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 t -140.2 148.9 42.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.63 169.87 17.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.73 -4.06 15.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.015 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 55.43 34.9 23.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.1 p -149.89 -28.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 140.56 -8.1 2.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.558 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.78 177.47 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -135.29 139.99 44.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.46 135.47 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.609 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.96 139.14 32.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.54 85.38 7.28 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HB3' ' CB ' ' A' ' 13' ' ' ASP . 72.0 Cg_endo -77.43 139.9 18.81 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.656 2.237 . . . . 0.0 112.75 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.663 0.268 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.25 -169.27 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.682 2.254 . . . . 0.0 112.135 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 54.75 -95.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.86 34.29 0.16 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.382 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.43 173.7 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -140.21 141.77 35.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.67 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.9 m -92.93 123.52 36.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.67 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.463 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.63 -96.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.419 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -128.4 114.59 17.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.92 -119.52 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.74 178.91 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 46' ' ' THR . 0.1 OUTLIER -90.8 107.93 19.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.714 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -97.77 158.53 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.31 120.24 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.676 0.274 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -144.89 -47.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.359 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 6' ' ' VAL . 7.2 p -117.34 21.09 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.987 0.423 . . . . 0.0 111.368 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -140.91 166.29 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.1 p -157.74 162.49 38.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.044 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 162.72 49.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -83.55 174.84 8.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.319 2.013 . . . . 0.0 112.446 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.44 171.4 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 65.35 4.08 2.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.245 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -140.73 -174.97 4.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.824 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -159.29 135.92 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.993 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -89.46 107.95 19.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.78 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.78 144.62 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 22.9 tt0 -96.31 158.47 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.483 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 1.5 mt -99.74 -119.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -149.29 -31.54 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.818 0.342 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.83 67.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.38 21.7 1.79 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.2 169.1 10.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.729 0.3 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -116.42 166.29 12.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.5 123.09 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.702 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.48 149.62 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.726 0.298 . . . . 0.0 110.611 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -146.01 136.37 12.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.324 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.14 163.69 30.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.602 2.202 . . . . 0.0 112.117 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.6 mm . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.016 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.609 0.243 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD2' ' HD2' ' A' ' 45' ' ' TYR . 90.4 Cg_endo -81.67 -148.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.597 2.198 . . . . 0.0 112.205 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.434 ' H ' ' HG2' ' A' ' 43' ' ' GLN . 10.6 pt20 -93.27 62.36 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.63 49.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.64 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.693 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 2.0 m-85 -158.67 160.24 36.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.645 0.259 . . . . 0.0 110.592 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -134.13 131.44 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.486 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.9 p -89.76 147.04 24.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.54 143.1 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.259 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 -163.76 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.02 18.65 55.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.749 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 31.3 mm-40 -93.53 165.68 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 1.2 p -137.54 122.21 18.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.8 167.79 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.46 152.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.97 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.878 0.37 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -158.92 -58.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.52 116.69 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.4 m -138.75 -174.91 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.66 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.47 84.07 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -91.36 163.17 29.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.787 179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.15 150.54 13.73 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.163 1.908 . . . . 0.0 112.406 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -56.03 168.88 0.43 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.075 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.51 35.63 26.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.66 118.96 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -90.93 168.25 11.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 12.9 p -113.8 135.74 53.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.58 168.9 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.497 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 32.2 tt0 -94.44 155.56 16.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.497 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 5.1 mt -103.82 -167.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 p -103.0 -8.39 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 m -93.9 9.95 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.031 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.03 32.04 45.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -125.16 -171.64 2.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -139.22 146.24 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.763 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.65 157.22 28.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.552 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -85.01 123.1 30.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.725 0.298 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.4 149.41 54.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -84.7 20.47 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.701 2.268 . . . . 0.0 112.769 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.4 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.141 0 CA-C-O 120.529 0.204 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.78 -146.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.728 2.285 . . . . 0.0 112.177 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -119.63 154.25 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.637 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 63.66 27.51 71.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.147 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 55' ' ' LYS . 21.0 p90 -94.73 -174.75 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.024 0.44 . . . . 0.0 111.436 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m -114.43 137.44 51.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.7 m -104.69 116.9 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -88.21 171.54 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.429 ' H ' HG12 ' A' ' 48' ' ' VAL . . . -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.13 -172.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.71 53.15 4.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.545 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -152.98 165.09 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.051 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . 1.6 p -145.62 169.59 18.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.745 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' A' ' 54' ' ' GLN . 1.2 tt0 -167.9 129.17 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 111.474 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -83.56 171.88 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.865 179.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.453 ' H ' ' HG2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.765 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.494 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.415 ' OD1' HG13 ' A' ' 6' ' ' VAL . 11.5 t-20 65.08 -76.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.872 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 7' ' ' SER . 12.9 m -128.88 -150.0 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.65 -0.13 . . . . 0.0 110.65 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.488 ' N ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -145.56 84.24 1.68 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.5 m -166.95 84.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.033 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.3 m -151.34 84.4 5.23 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.58 -174.09 1.69 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.339 2.693 . . . . 0.0 112.453 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p -50.62 166.68 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.53 15.18 6.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.503 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.14 116.27 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.439 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.49 154.49 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.354 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.19 126.5 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.725 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -140.86 167.52 21.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.09 157.55 22.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.93 -167.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -116.47 14.37 15.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -120.27 -21.36 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.01 23.03 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.611 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.46 -175.44 3.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -121.83 148.23 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.752 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.12 30.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.632 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.42 136.43 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.289 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.624 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -93.04 130.43 36.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 31.4 Cg_exo -61.49 -19.5 64.77 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.501 2.134 . . . . 0.0 112.493 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.7 mm . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 -179.838 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.0 m . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.536 0.208 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.6 172.98 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.472 2.115 . . . . 0.0 112.224 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 51.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.46 15.29 2.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.616 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -141.62 174.55 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 1.1 m -123.7 155.38 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.336 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -87.5 87.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.25 -176.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 171.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.47 13.45 5.09 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.64 57.7 16.51 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.761 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.56 150.6 51.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 46' ' ' THR . 10.2 m -103.1 113.79 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 1.5 tt0 -156.6 153.44 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.609 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 4.5 tptm -77.69 154.0 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.739 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 N--CA 1.462 0.147 0 CA-C-O 120.808 0.337 . . . . 0.0 111.314 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 7' ' ' SER . 39.7 t30 -115.93 158.24 23.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 t 69.56 -10.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.606 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -122.48 106.76 11.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.79 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -115.74 149.92 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 154.79 37.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.534 ' HD2' ' OD1' ' A' ' 13' ' ' ASP . 85.3 Cg_endo -84.08 -178.96 3.73 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.484 2.123 . . . . 0.0 112.456 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -82.42 7.73 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -97.37 3.36 51.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.038 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.835 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . 2.3 p30 -154.3 -174.97 5.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.027 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 27' ' ' PRO . 2.8 t -132.26 148.97 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 111.01 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 161.29 13.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -99.15 149.38 23.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -118.63 156.05 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 t -70.87 -15.19 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -76.19 0.51 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.03 -0.22 87.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -107.79 168.39 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.804 0.335 . . . . 0.0 110.692 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -118.66 145.26 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.5 173.06 21.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.67 132.04 56.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -166.44 96.65 0.73 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.835 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 84.1 Cg_endo -81.17 52.6 4.39 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.229 . . . . 0.0 112.123 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.294 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 64.3 m . . . . . 0 CA--C 1.531 0.224 0 CA-C-O 120.374 0.13 . . . . 0.0 110.683 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 74.0 Cg_endo -75.33 44.94 1.3 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.546 2.164 . . . . 0.0 112.929 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 63.44 156.76 0.06 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.074 0.464 . . . . 0.0 111.672 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.64 25.89 64.03 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.894 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.586 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 39.2 m-85 -147.51 141.5 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.738 0.304 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.95 147.37 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.397 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 106.12 18.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 49' ' ' ALA . 1.2 p -119.78 168.73 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . . . 58.13 -168.71 0.13 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.263 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -96.51 74.16 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.62 20.72 8.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.842 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -112.05 -178.02 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.821 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 45' ' ' TYR . 22.8 t -165.18 119.88 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.269 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 147.05 51.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.549 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -60.78 171.85 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.24 -179.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.603 HD13 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.109 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 CA--C 1.528 0.122 0 CA-C-O 120.619 0.247 . . . . 0.0 110.76 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -27.35 50.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.85 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.22 83.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -84.28 102.12 12.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.5 p -130.9 99.03 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -159.3 147.19 13.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 9' ' ' CYS . 1.1 Cg_endo -84.26 167.67 12.08 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.074 2.516 . . . . 0.0 112.26 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 160.58 12.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m 55.71 29.3 13.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -147.11 166.15 27.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -134.43 143.07 47.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.18 140.49 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.0 p -132.9 162.16 32.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.13 161.61 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.54 163.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.53 28.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -128.16 17.68 6.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.735 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.75 25.68 72.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.662 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -135.94 162.85 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -106.49 149.44 27.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.8 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.76 -174.82 16.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.411 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.3 m -121.17 138.75 54.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 t -127.97 136.41 28.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 17.1 Cg_exo -67.67 -172.6 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.831 2.354 . . . . 0.0 112.521 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.9 tt . . . . . 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 4.0 m . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.556 0.217 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 17.5 Cg_endo -57.27 178.77 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.619 2.213 . . . . 0.0 112.511 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 140.38 52.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.99 -38.61 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.759 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 95.3 m-85 -84.85 150.14 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -115.27 177.84 4.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.78 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.521 ' H ' HG22 ' A' ' 46' ' ' THR . 0.5 OUTLIER -112.47 133.22 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.615 ' H ' ' HA ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -177.75 178.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.541 ' H ' HG22 ' A' ' 48' ' ' VAL . . . 63.61 -166.87 0.22 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.71 -19.63 41.64 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.38 -128.66 3.78 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.088 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.615 ' HA ' ' H ' ' A' ' 48' ' ' VAL . 2.2 pt20 -164.34 83.94 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.691 0.281 . . . . 0.0 110.997 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -179.77 101.36 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -154.56 132.72 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.688 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 169.93 8.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.231 0.08 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 53.22 56.43 7.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t 59.49 34.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.24 161.47 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.683 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.3 p -154.68 170.57 21.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.083 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -86.08 153.14 56.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 91.5 Cg_endo -83.78 177.07 6.44 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.57 2.18 . . . . 0.0 112.256 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 174.59 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.007 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.4 m 56.11 35.49 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.87 172.7 18.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.91 134.22 46.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -116.1 129.78 56.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.713 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 -178.59 5.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.068 0.461 . . . . 0.0 111.372 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.1 167.69 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 3.6 mt -133.65 141.24 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -74.31 1.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.5 m -80.23 -28.13 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.17 -9.89 5.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.661 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 22.5 mt-10 -129.04 -170.71 2.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -103.91 156.1 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.41 178.11 35.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.739 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 64.1 m -113.14 158.06 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.43 147.76 38.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.598 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -37.1 121.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.983 2.455 . . . . 0.0 112.766 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.7 tt . . . . . 0 CA--C 1.531 0.215 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.551 -179.544 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.662 0.268 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -90.67 175.55 2.6 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.938 2.425 . . . . 0.0 112.258 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.8 -3.2 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.469 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -60.81 -7.28 7.9 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.527 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB3' ' N ' ' A' ' 54' ' ' GLN . 14.9 m-85 -141.26 174.17 10.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 54' ' ' GLN . 52.8 m -98.4 125.83 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.394 . . . . 0.0 110.156 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 90.33 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.031 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.05 162.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.008 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.92 -90.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.334 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -144.16 -104.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 0.0 111.064 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.4 19.66 17.76 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.809 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -97.59 126.32 42.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.65 124.09 37.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.636 ' C ' ' H ' ' A' ' 46' ' ' THR . 33.3 tt0 -157.21 118.45 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.384 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -74.92 -161.16 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.944 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.456 HG12 ' SG ' ' A' ' 3' ' ' CYS . 1.8 t . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.767 0.318 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -80.85 100.11 1.18 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.693 2.262 . . . . 0.0 112.612 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.456 ' SG ' HG12 ' A' ' 1' ' ' VAL . 0.3 OUTLIER -145.34 65.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.781 179.749 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.48 -170.85 0.11 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.049 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -119.71 8.09 11.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.958 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -82.01 -52.77 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -138.29 108.57 6.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.953 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.04 -174.97 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 1.2 m -125.56 100.34 31.86 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.972 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.17 166.3 12.73 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.02 2.48 . . . . 0.0 112.101 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 m 57.48 -167.62 0.13 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.954 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -74.27 82.14 1.85 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.828 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.441 ' HA ' ' CB ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -141.67 176.8 8.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.018 -179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.487 HG22 ' HB3' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -129.57 142.48 50.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.045 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 122.55 29.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.043 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -110.96 149.36 30.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -92.46 161.62 14.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 0.7 OUTLIER -124.5 -167.0 1.59 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.788 179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.1 t -115.61 30.71 7.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.979 0.418 . . . . 0.0 111.079 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 67.0 m -137.08 18.33 2.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 72.97 15.39 78.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.595 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 7.9 tt0 -120.76 147.83 44.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.782 0.325 . . . . 0.0 110.832 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 34.6 m95 -109.36 141.08 42.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -130.32 -174.82 13.8 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.437 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -102.29 143.55 31.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.846 0.355 . . . . 0.0 110.92 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.48 127.77 49.39 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.983 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -81.54 8.77 4.21 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.684 2.256 . . . . 0.0 112.677 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -132.01 61.33 57.26 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.336 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.487 ' HB3' HG22 ' A' ' 14' ' ' THR . 82.8 Cg_endo -88.76 53.48 1.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.758 2.305 . . . . 0.0 112.486 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -145.7 -166.93 2.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.95 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 66.88 146.31 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.0 m -92.08 -175.18 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.237 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.7 p -159.8 16.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.622 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.54 129.67 47.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.114 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 41' ' ' CYS . 82.8 p -157.22 -29.74 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.734 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.2 t0 55.33 51.6 12.77 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 55.92 31.57 18.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 55.93 87.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.067 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -142.7 -33.29 0.47 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.931 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 71.1 m -126.68 -73.82 0.61 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.035 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 35' ' ' SER . 0.1 OUTLIER -118.38 113.68 36.79 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.133 -179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 42.4 Cg_endo -67.49 -157.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.551 2.168 . . . . 0.0 112.294 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -85.21 20.09 2.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.025 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -93.21 -16.77 45.72 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.437 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -133.28 172.69 12.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.753 0.311 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.1 m -102.51 151.02 22.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.1 p -88.25 102.53 14.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.826 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.4 t -105.03 142.16 18.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.064 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.07 151.44 31.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.077 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 55.34 72.31 0.49 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 153.38 -113.49 0.58 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.43 -174.9 5.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 96.3 m -85.48 135.16 33.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.171 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -160.82 145.8 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.529 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.72 168.06 10.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.986 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -127.87 -22.1 3.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.948 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -105.97 -169.7 1.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 56.32 85.5 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.184 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -124.76 149.79 46.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.13 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.83 34.69 25.16 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.032 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.08 27.48 2.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.001 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 39.6 m80 58.12 87.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -87.47 7.89 27.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.738 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -99.22 34.43 2.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.831 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.423 ' HB3' ' H ' ' A' ' 66' ' ' HIS . 6.8 m80 -113.67 -143.02 0.38 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.423 ' H ' ' HB3' ' A' ' 65' ' ' HIS . 0.8 OUTLIER 65.55 158.83 0.11 Allowed 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.873 0.368 . . . . 0.0 111.064 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.927 -179.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.634 HG21 ' HD3' ' A' ' 10' ' ' PRO . 91.1 t . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.554 0.216 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 1' ' ' VAL . 49.8 Cg_exo -56.35 127.32 25.49 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.556 2.171 . . . . 0.0 112.333 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.0 m -121.39 41.87 3.23 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.852 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -75.69 -29.59 59.07 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -151.18 -3.44 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.34 109.28 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.217 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.82 105.89 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.707 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 p -146.84 84.99 1.61 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.26 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -92.52 140.85 24.13 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.812 179.719 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.634 ' HD3' HG21 ' A' ' 1' ' ' VAL . 1.1 Cg_endo -84.45 177.6 5.62 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.116 2.544 . . . . 0.0 112.243 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.93 31.81 21.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.2 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 m 54.14 37.69 27.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.038 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -85.5 -176.46 6.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 -179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -135.23 149.46 49.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.829 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.6 t -101.9 135.68 43.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -136.08 154.96 50.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.77 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -75.11 157.74 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.7 mt -106.49 -87.25 0.47 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.7 m -123.3 -67.25 0.95 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.029 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.11 107.92 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.253 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.65 -6.03 71.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.845 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -107.59 130.41 54.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -114.13 138.25 50.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.787 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -141.92 140.19 9.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.583 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.2 m -85.0 143.31 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.799 0.333 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.86 124.96 72.04 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.869 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.29 -29.0 86.5 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.593 2.195 . . . . 0.0 112.355 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.24 108.4 14.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.161 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -66.58 84.59 0.29 Allowed 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.689 2.259 . . . . 0.0 112.21 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.92 172.24 9.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -102.86 137.85 40.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.945 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.449 HG21 ' HA3' ' A' ' 44' ' ' GLY . 15.3 m 33.6 71.64 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.842 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -78.26 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.285 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -55.68 147.74 17.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.232 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.8 p -149.43 95.98 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.727 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -71.28 110.99 6.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.943 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -93.97 99.63 11.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -129.55 -54.59 1.16 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.008 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.25 3.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.307 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HB3' ' H ' ' A' ' 41' ' ' CYS . 0.1 OUTLIER -165.46 -139.91 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.204 -179.766 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.451 ' N ' ' HD3' ' A' ' 42' ' ' PRO . 15.5 m 64.66 57.71 1.47 Allowed Pre-proline 0 CA--C 1.53 0.18 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.208 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.451 ' HD3' ' N ' ' A' ' 41' ' ' CYS . 82.4 Cg_endo -90.01 170.66 4.11 Favored 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.799 2.333 . . . . 0.0 112.442 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.3 tp60 55.0 29.59 12.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.256 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' HA3' HG21 ' A' ' 32' ' ' VAL . . . 75.42 130.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.743 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.534 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 1.8 m-85 -143.2 165.8 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.754 0.312 . . . . 0.0 110.769 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.31 125.61 51.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.943 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -85.0 116.79 23.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.1 p -117.49 135.54 57.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.264 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 57.17 17.29 3.45 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.519 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 52.54 75.24 0.24 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.061 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.51 -79.0 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.257 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -91.01 143.61 26.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.771 0.319 . . . . 0.0 110.605 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.534 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 31.4 p -106.29 134.25 49.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.196 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.0 143.75 51.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.484 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.84 178.64 4.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.856 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -91.02 173.6 7.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.963 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -129.52 86.96 2.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.047 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -143.99 9.62 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.864 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.97 169.97 9.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.073 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -161.39 147.95 14.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 59.03 94.69 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.994 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.07 -37.44 0.58 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.06 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 65.3 m-70 -106.16 -92.28 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 63.63 129.15 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.156 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.309 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.9 m170 58.37 -161.7 0.24 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.934 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -75.94 -170.6 1.4 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.787 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 4.2 m80 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.831 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.485 1.324 0 CA-C-O 120.615 0.245 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -75.08 -36.25 2.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.482 2.121 . . . . 0.0 112.346 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.2 t 59.18 -90.67 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -109.83 -168.77 1.37 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.763 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.59 -25.19 16.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.056 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.5 m -105.5 -16.54 7.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.209 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.9 t -113.81 149.38 35.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 p -158.04 134.64 9.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.438 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 1.2 m -88.52 129.43 49.2 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.103 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.5 ' HD2' ' OD2' ' A' ' 13' ' ' ASP . 85.6 Cg_endo -93.85 163.4 2.21 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 123.113 2.542 . . . . 0.0 112.228 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.71 -92.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.995 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 9.7 t -165.04 71.09 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.839 0.352 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.684 ' HB3' ' HA ' ' A' ' 27' ' ' PRO . 0.1 OUTLIER -122.88 172.04 8.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.549 HG23 ' SG ' ' A' ' 26' ' ' CYS . 2.2 t -97.21 150.68 20.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.24 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 32.0 t -97.16 120.87 38.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.428 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 5.4 t -120.05 173.44 7.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -118.95 146.02 45.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 mt -100.66 174.47 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.0 p -86.01 4.13 39.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.08 10.44 35.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.29 -0.38 80.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -115.14 147.46 40.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 110.926 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 39.6 m95 -86.29 -179.64 6.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.76 161.3 27.64 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.175 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.611 ' SG ' ' HB2' ' A' ' 13' ' ' ASP . 20.7 t -93.94 146.6 23.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.693 0.282 . . . . 0.0 111.001 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.549 ' SG ' HG23 ' A' ' 14' ' ' THR . 1.1 p -132.99 97.07 17.09 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.169 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.684 ' HA ' ' HB3' ' A' ' 13' ' ' ASP . 14.5 Cg_exo -69.04 127.14 14.71 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.731 2.287 . . . . 0.0 111.809 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.486 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.6 tt 35.89 67.35 1.57 Allowed Pre-proline 0 CA--C 1.535 0.387 0 CA-C-O 121.267 0.556 . . . . 0.0 111.302 -179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.549 ' HG3' ' HB2' ' A' ' 26' ' ' CYS . 17.8 Cg_exo -66.05 -162.86 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.728 2.286 . . . . 0.0 112.344 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 58.54 79.46 0.21 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.959 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -122.37 -75.37 0.6 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.416 ' HB ' ' H ' ' A' ' 33' ' ' CYS . 6.2 t -117.48 -91.6 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.08 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' H ' ' HB ' ' A' ' 32' ' ' VAL . 0.1 OUTLIER 57.06 -176.94 0.06 Allowed 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.244 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 49.6 t -173.04 119.81 0.35 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.71 36.28 3.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -68.68 -52.29 32.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -99.94 -55.49 2.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.2 pt20 -161.04 -177.67 6.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -91.62 63.31 4.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.793 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.88 -15.51 41.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -147.47 142.28 16.63 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.098 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -81.76 -154.27 0.05 OUTLIER 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.641 2.227 . . . . 0.0 112.245 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -70.8 144.34 50.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.002 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.47 -45.51 1.29 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.584 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -93.26 159.44 15.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.596 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -137.0 152.67 50.39 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.315 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.3 m -84.68 91.0 7.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.909 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -127.58 143.67 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.22 98.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.205 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 58.88 -162.87 0.23 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.947 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -86.46 73.54 2.49 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.483 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -141.45 177.78 7.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.712 0.291 . . . . 0.0 110.897 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.596 ' HA ' ' O ' ' A' ' 46' ' ' THR . 75.8 m -141.29 119.77 12.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.071 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -144.65 167.69 21.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.704 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.678 ' HD2' ' HB2' ' A' ' 58' ' ' ALA . 0.0 OUTLIER -83.56 128.96 34.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.712 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 mt -91.03 136.3 33.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.015 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 56.8 40.91 28.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.167 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.678 ' HB2' ' HD2' ' A' ' 55' ' ' LYS . . . -119.26 154.21 33.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 58.01 86.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.318 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.528 ' HB3' ' H ' ' A' ' 61' ' ' GLU . 0.9 OUTLIER 53.11 -141.13 0.88 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.011 179.767 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' H ' ' HB3' ' A' ' 60' ' ' LEU . 10.1 mt-10 65.5 170.96 0.22 Allowed 'General case' 0 N--CA 1.462 0.145 0 CA-C-O 120.869 0.366 . . . . 0.0 111.033 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 9.5 m170 -84.32 178.12 7.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.95 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -113.16 -65.79 1.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.05 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.83 168.27 23.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 29.9 m170 -111.59 74.07 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.41 ' HB3' ' H ' ' A' ' 67' ' ' HIS . 0.0 OUTLIER 56.14 -95.77 0.06 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.198 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . 0.41 ' H ' ' HB3' ' A' ' 66' ' ' HIS . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.379 -0.819 . . . . 0.0 110.945 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.647 0.261 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.405 ' HB2' ' H ' ' A' ' 3' ' ' CYS . 56.8 Cg_endo -70.58 -148.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.553 2.169 . . . . 0.0 112.206 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.405 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 4.7 t 67.07 -80.81 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.194 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -146.12 9.2 1.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.082 -179.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 62.74 -176.71 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -178.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 86.2 t 61.42 -81.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.086 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 39.4 m -121.9 99.24 6.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.789 0.328 . . . . 0.0 110.593 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.4 m -151.28 -174.97 4.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.037 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.525 ' HB3' ' OD1' ' A' ' 13' ' ' ASP . 1.2 m -84.53 160.12 57.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.61 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -83.81 178.32 5.54 Favored 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.929 2.419 . . . . 0.0 112.154 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.2 t -72.72 83.22 1.16 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.5 t -175.61 -59.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.715 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' A' ' 9' ' ' CYS . 1.2 p30 -89.3 -176.44 5.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.896 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.47 138.8 54.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.295 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.0 p -97.52 154.32 17.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.85 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.5 t -140.2 148.9 42.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.014 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.63 169.87 17.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.73 -4.06 15.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.015 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 55.43 34.9 23.94 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.158 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.1 p -149.89 -28.14 0.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 140.56 -8.1 2.82 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.558 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -104.78 177.47 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.833 0.349 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -135.29 139.99 44.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.46 135.47 6.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.609 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 9.2 m -84.96 139.14 32.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.832 0.348 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -146.54 85.38 7.28 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.8 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HB3' ' CB ' ' A' ' 13' ' ' ASP . 72.0 Cg_endo -77.43 139.9 18.81 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.656 2.237 . . . . 0.0 112.75 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -128.84 68.63 79.45 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.874 179.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.417 ' HD3' ' C ' ' A' ' 27' ' ' PRO . 12.9 Cg_exo -69.76 71.76 1.49 Allowed 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 123.089 2.526 . . . . 0.0 112.126 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -51.93 150.83 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.062 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.68 139.96 58.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.221 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 86.5 t -95.08 130.78 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.008 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.748 ' HA ' ' HB2' ' A' ' 53' ' ' CYS . 12.9 p -151.49 165.63 33.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.018 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 p -114.4 143.61 44.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.89 -20.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -118.84 -18.12 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -135.46 96.88 3.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -76.31 161.9 28.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.779 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 57.68 23.01 8.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 140.52 24.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.727 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.62 135.49 2.78 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.162 -179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -82.25 -169.27 0.72 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.682 2.254 . . . . 0.0 112.135 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 54.75 -95.27 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.043 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -170.86 34.29 0.16 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.382 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -98.43 173.7 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.726 0.298 . . . . 0.0 110.901 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -140.21 141.77 35.9 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.67 -179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.9 m -92.93 123.52 36.25 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.573 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.67 101.88 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.389 -0.368 . . . . 0.0 111.463 -179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 52.63 -96.97 0.06 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.419 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -128.4 114.59 17.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.912 0.387 . . . . 0.0 110.869 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 163.92 -119.52 0.88 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.432 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -130.74 178.91 6.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.748 ' HB2' ' HA ' ' A' ' 33' ' ' CYS . 0.1 OUTLIER -90.8 107.93 19.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.714 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -97.77 158.53 15.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.31 120.24 41.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.929 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -147.86 172.01 14.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.84 -5.18 14.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.919 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 55.18 68.42 0.87 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.22 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -85.42 -79.67 0.23 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.175 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.476 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -153.23 8.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.173 0.511 . . . . 0.0 110.687 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.79 92.62 4.85 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.137 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 57.37 89.45 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.0 p-80 -70.27 161.97 29.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.607 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -138.0 169.78 17.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.95 0.405 . . . . 0.0 111.169 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.16 171.29 8.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.828 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -78.12 -2.36 37.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.876 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 30.1 m170 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.873 179.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.437 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.712 0.291 . . . . 0.0 111.044 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.437 ' HD3' ' H2 ' ' A' ' 1' ' ' VAL . 11.1 Cg_exo -71.6 75.3 2.06 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.81 2.34 . . . . 0.0 112.243 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.776 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 0.0 OUTLIER -59.54 126.12 26.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.52 179.904 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.09 -52.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.244 -179.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -144.89 -47.1 0.24 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.359 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.404 ' O ' HG22 ' A' ' 6' ' ' VAL . 7.2 p -117.34 21.09 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.987 0.423 . . . . 0.0 111.368 -179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.2 m -140.91 166.29 25.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.915 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.776 ' HA ' ' HB2' ' A' ' 3' ' ' CYS . 2.1 p -157.74 162.49 38.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.54 162.72 49.85 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.543 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.436 ' HD3' HG21 ' A' ' 1' ' ' VAL . 90.4 Cg_endo -83.55 174.84 8.52 Favored 'Trans proline' 0 C--N 1.348 0.538 0 C-N-CA 122.319 2.013 . . . . 0.0 112.446 -179.624 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.44 171.4 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.334 -179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 65.35 4.08 2.54 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.245 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -140.73 -174.97 4.12 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.824 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -159.29 135.92 9.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.993 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -89.46 107.95 19.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.78 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.78 144.62 36.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 22.9 tt0 -96.31 158.47 15.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.521 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.483 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 1.5 mt -99.74 -119.67 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.1 m -149.29 -31.54 0.23 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.818 0.342 . . . . 0.0 110.979 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -27.83 67.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.943 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 126.38 21.7 1.79 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -120.2 169.1 10.56 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.729 0.3 . . . . 0.0 111.017 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 73.7 m95 -116.42 166.29 12.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -167.5 123.09 1.09 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.702 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.8 m -89.48 149.62 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.726 0.298 . . . . 0.0 110.611 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 22.1 p -146.01 136.37 12.11 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.324 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.14 163.69 30.26 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.602 2.202 . . . . 0.0 112.117 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.6 mm 53.78 71.69 1.32 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo -65.44 -165.83 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.772 2.315 . . . . 0.0 112.213 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -65.05 103.42 0.74 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -148.8 84.82 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.066 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 13.5 m 33.69 50.51 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.371 0 CA-C-N 115.831 -0.622 . . . . 0.0 112.067 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 7.9 p -134.48 141.66 46.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.852 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 30.6 p -146.26 167.02 24.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.6 m 59.48 176.9 0.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -171.86 78.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.832 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -103.96 -80.28 0.53 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.008 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -156.11 96.49 1.71 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.979 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 54.82 73.99 0.38 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.819 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' HB2' ' H ' ' A' ' 41' ' ' CYS . 0.5 OUTLIER -100.22 -153.13 0.44 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.078 -179.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.444 ' H ' ' HB2' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -56.84 143.72 69.27 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.146 -179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD2' ' HD2' ' A' ' 45' ' ' TYR . 90.4 Cg_endo -81.67 -148.18 0.03 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.597 2.198 . . . . 0.0 112.205 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.434 ' H ' ' HG2' ' A' ' 43' ' ' GLN . 10.6 pt20 -93.27 62.36 3.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 176.63 49.95 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.65 -0.786 . . . . 0.0 112.64 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.693 ' HB3' ' HB2' ' A' ' 53' ' ' CYS . 2.0 m-85 -158.67 160.24 36.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.645 0.259 . . . . 0.0 110.592 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -134.13 131.44 38.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.486 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 52' ' ' GLN . 2.9 p -89.76 147.04 24.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.54 143.1 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 60.17 -87.42 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.259 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.75 -163.76 0.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.786 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -93.02 18.65 55.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.749 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 47' ' ' CYS . 31.3 mm-40 -93.53 165.68 12.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.776 0.322 . . . . 0.0 110.794 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.693 ' HB2' ' HB3' ' A' ' 45' ' ' TYR . 1.2 p -137.54 122.21 18.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.033 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -122.8 167.79 13.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.758 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.46 152.0 25.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.723 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.78 -71.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.97 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 65.88 127.88 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.343 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 57.39 -98.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.21 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -159.62 167.05 29.38 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.87 0.367 . . . . 0.0 111.039 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.87 29.89 7.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -68.16 -84.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -163.46 -166.12 1.17 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.778 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -135.29 125.05 25.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.174 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 57.74 -174.4 0.08 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.441 179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -107.93 67.8 0.69 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.802 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 3.1 m80 54.46 37.55 27.98 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.804 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.213 -0.898 . . . . 0.0 110.967 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.676 HG23 ' HB3' ' A' ' 7' ' ' SER . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.634 0.254 . . . . 0.0 111.098 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.458 ' HB2' ' H ' ' A' ' 3' ' ' CYS . 96.1 Cg_endo -85.53 -142.61 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.709 2.272 . . . . 0.0 111.941 179.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.458 ' H ' ' HB2' ' A' ' 2' ' ' PRO . 0.1 OUTLIER -175.64 34.72 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 179.739 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -73.62 -32.43 64.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.929 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -158.92 -58.14 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.701 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.8 p -136.52 116.69 17.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.815 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.676 ' HB3' HG23 ' A' ' 1' ' ' VAL . 1.4 m -138.75 -174.91 3.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.66 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.47 84.07 1.74 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.867 0.365 . . . . 0.0 111.56 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.601 ' HA ' HG11 ' A' ' 1' ' ' VAL . 0.0 OUTLIER -91.36 163.17 29.81 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 109.787 179.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -83.15 150.54 13.73 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.163 1.908 . . . . 0.0 112.406 -179.453 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.6 p -56.03 168.88 0.43 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.075 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.51 35.63 26.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.889 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -170.66 118.96 0.53 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.033 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 t -90.93 168.25 11.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.941 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 12.9 p -113.8 135.74 53.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.863 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -135.58 168.9 18.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.497 ' HG2' ' N ' ' A' ' 18' ' ' LEU . 32.2 tt0 -94.44 155.56 16.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.961 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 5.1 mt -103.82 -167.07 1.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.72 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.5 p -103.0 -8.39 20.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.034 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.0 m -93.9 9.95 35.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.031 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 78.03 32.04 45.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -125.16 -171.64 2.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.725 0.298 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 46.9 m95 -139.22 146.24 40.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.763 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.65 157.22 28.64 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.552 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.51 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 0.1 OUTLIER -85.01 123.1 30.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.725 0.298 . . . . 0.0 110.915 179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 65.9 m -84.4 149.41 54.92 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.623 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -84.7 20.47 1.22 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.701 2.268 . . . . 0.0 112.769 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -120.93 79.11 32.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.4 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.474 ' HB2' ' H ' ' A' ' 30' ' ' GLU . 61.3 Cg_endo -70.91 -140.5 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.708 2.272 . . . . 0.0 112.025 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' H ' ' HB2' ' A' ' 29' ' ' PRO . 0.0 OUTLIER -51.26 166.29 0.11 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.102 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.41 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.767 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.676 ' HB ' ' HA2' ' A' ' 44' ' ' GLY . 20.6 t -75.49 131.9 34.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.962 0.411 . . . . 0.0 111.42 -179.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.4 t -138.77 -58.42 0.62 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.67 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 58.87 98.5 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.345 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 90.1 p -73.73 -53.33 10.58 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.639 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.456 ' HB2' ' H ' ' A' ' 37' ' ' HIS . 0.5 OUTLIER 54.65 -97.49 0.07 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.231 179.819 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.456 ' H ' ' HB2' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -152.14 -56.69 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.821 0.343 . . . . 0.0 110.639 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -115.36 -166.9 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.662 179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 31.4 t-80 -138.95 127.69 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.991 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 18.5 p -157.6 5.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.678 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.24 156.66 54.82 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.767 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -66.78 -146.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.728 2.285 . . . . 0.0 112.177 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -119.63 154.25 34.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.637 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.676 ' HA2' ' HB ' ' A' ' 32' ' ' VAL . . . 63.66 27.51 71.13 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.147 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.6 ' O ' HG11 ' A' ' 32' ' ' VAL . 21.0 p90 -94.73 -174.75 3.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.024 0.44 . . . . 0.0 111.436 -179.514 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.9 m -114.43 137.44 51.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.017 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.7 m -104.69 116.9 32.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.908 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.429 HG12 ' H ' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -88.21 171.54 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.429 ' H ' HG12 ' A' ' 48' ' ' VAL . . . -67.58 -37.99 83.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.206 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -73.13 -172.95 1.17 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -87.71 53.15 4.28 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.545 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -152.98 165.09 36.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 111.051 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' HB2' ' CD2' ' A' ' 45' ' ' TYR . 1.6 p -145.62 169.59 18.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.745 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' A' ' 54' ' ' GLN . 1.2 tt0 -167.9 129.17 1.43 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.866 0.365 . . . . 0.0 111.474 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -83.56 171.88 12.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.865 179.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.453 ' H ' ' HG2' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -107.36 153.88 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.765 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.74 -40.14 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.158 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -164.77 -70.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.058 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -90.31 135.05 33.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.194 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.59 67.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.557 179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -104.29 139.77 38.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.062 -179.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -118.31 -164.06 1.0 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -57.01 -68.35 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -164.46 147.65 9.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.601 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 47.7 m170 -114.9 -80.27 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 57.81 52.27 8.26 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.83 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.01 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.613 ' HB ' ' HD2' ' A' ' 2' ' ' PRO . 12.1 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.49 0.186 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.613 ' HD2' ' HB ' ' A' ' 1' ' ' VAL . 33.0 Cg_endo -63.61 -11.74 27.75 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.639 2.226 . . . . 0.0 112.404 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.581 ' H ' HG23 ' A' ' 1' ' ' VAL . 3.6 m 64.21 1.69 1.29 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.885 179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -176.66 172.41 2.14 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.999 0.428 . . . . 0.0 111.494 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.415 ' OD1' HG13 ' A' ' 6' ' ' VAL . 11.5 t-20 65.08 -76.55 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.872 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 7' ' ' SER . 12.9 m -128.88 -150.0 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 N-CA-C 110.65 -0.13 . . . . 0.0 110.65 -179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.488 ' N ' HG23 ' A' ' 6' ' ' VAL . 0.1 OUTLIER -145.56 84.24 1.68 Allowed 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.8 0.333 . . . . 0.0 111.223 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.46 ' H ' ' HD3' ' A' ' 2' ' ' PRO . 2.5 m -166.95 84.0 0.25 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.033 179.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.535 ' HB2' ' N ' ' A' ' 2' ' ' PRO . 1.3 m -151.34 84.4 5.23 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.478 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -84.58 -174.09 1.69 Allowed 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 123.339 2.693 . . . . 0.0 112.453 -179.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 96.2 p -50.62 166.68 0.08 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.53 15.18 6.51 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.503 -179.64 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.14 116.27 2.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.439 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -105.49 154.49 20.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.354 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.19 126.5 33.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.725 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.624 ' SG ' ' HB2' ' A' ' 26' ' ' CYS . 0.0 OUTLIER -140.86 167.52 21.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.017 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -83.09 157.55 22.79 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.77 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.93 -167.12 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -116.47 14.37 15.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -120.27 -21.36 6.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 122.01 23.03 2.55 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.611 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.46 -175.44 3.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.8 0.333 . . . . 0.0 110.835 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -121.83 148.23 44.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.752 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.21 161.12 30.98 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.632 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.42 136.43 33.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.708 0.289 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.624 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -93.04 130.43 36.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.809 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 31.4 Cg_exo -61.49 -19.5 64.77 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.501 2.134 . . . . 0.0 112.493 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 39.7 mm -120.31 104.21 43.54 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.325 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -64.82 80.52 0.18 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.711 2.274 . . . . 0.0 112.183 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.32 153.18 38.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.819 -179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . 63.62 116.99 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.391 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.1 p -65.51 -15.38 18.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.179 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HB3' ' A' ' 34' ' ' CYS . 0.7 OUTLIER 58.3 -149.33 0.46 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' HB3' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER 66.24 148.34 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.982 0.42 . . . . 0.0 111.24 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 t -134.5 107.09 7.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.803 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -83.18 113.91 20.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -112.89 28.72 8.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.808 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -125.41 -74.94 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.029 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.23 -177.61 3.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -106.95 106.73 17.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.941 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 71.0 m -125.95 133.35 24.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.6 172.98 1.25 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.472 2.115 . . . . 0.0 112.224 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.08 51.74 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.154 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -142.46 15.29 2.49 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.616 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -141.62 174.55 10.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.359 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 1.1 m -123.7 155.38 37.92 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.336 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 p -87.5 87.6 7.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.693 179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.25 -176.39 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.052 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.9 171.18 0.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.234 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.47 13.45 5.09 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.008 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.64 57.7 16.51 Favored Glycine 0 C--N 1.33 0.239 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.761 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -130.56 150.6 51.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.816 0.341 . . . . 0.0 110.965 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.557 ' HA ' ' O ' ' A' ' 46' ' ' THR . 10.2 m -103.1 113.79 27.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.54 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 1.5 tt0 -156.6 153.44 28.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.609 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' N ' ' HG3' ' A' ' 54' ' ' GLN . 4.5 tptm -77.69 154.0 32.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.739 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.556 HD21 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -104.35 159.92 15.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.988 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.11 -25.1 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.833 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.62 140.78 49.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.022 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -130.73 72.75 1.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.083 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.5 mp -104.75 -165.53 1.15 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -67.41 -80.62 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -146.83 -172.0 3.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 82.3 m-70 -87.98 68.28 9.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.793 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -126.25 64.55 1.24 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.18 -157.39 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -89.14 155.53 19.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.86 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.957 -179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.42 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.676 0.274 . . . . 0.0 111.193 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.42 ' HD3' ' H2 ' ' A' ' 1' ' ' VAL . 86.4 Cg_endo -86.18 106.23 0.8 Allowed 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.646 2.231 . . . . 0.0 112.494 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -136.63 74.14 1.48 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 56.97 -162.02 0.2 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.314 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.416 ' C ' ' H ' ' A' ' 7' ' ' SER . 39.7 t30 -115.93 158.24 23.32 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.2 t 69.56 -10.42 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.23 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.606 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -122.48 106.76 11.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.796 0.331 . . . . 0.0 110.79 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.9 p -115.74 149.92 37.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.076 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -149.91 154.79 37.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.534 ' HD2' ' OD1' ' A' ' 13' ' ' ASP . 85.3 Cg_endo -84.08 -178.96 3.73 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.484 2.123 . . . . 0.0 112.456 -179.748 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -82.42 7.73 13.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.026 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.1 m -97.37 3.36 51.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.038 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.835 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . 2.3 p30 -154.3 -174.97 5.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.027 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.64 HG22 ' HA ' ' A' ' 27' ' ' PRO . 2.8 t -132.26 148.97 52.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.006 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.35 111.01 23.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.169 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -102.41 161.29 13.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.928 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -99.15 149.38 23.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.076 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 mt -118.63 156.05 29.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.798 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 t -70.87 -15.19 62.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.255 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 p -76.19 0.51 18.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.03 -0.22 87.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -107.79 168.39 9.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.804 0.335 . . . . 0.0 110.692 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 26.6 m95 -118.66 145.26 45.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.973 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -135.5 173.06 21.91 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.454 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.0 m -118.67 132.04 56.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.706 0.289 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -166.44 96.65 0.73 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.008 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.835 ' HB3' ' HA ' ' A' ' 13' ' ' ASP . 84.1 Cg_endo -81.17 52.6 4.39 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.229 . . . . 0.0 112.123 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.645 ' N ' ' HD3' ' A' ' 29' ' ' PRO . 1.1 mt 50.77 54.33 15.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.769 -179.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.645 ' HD3' ' N ' ' A' ' 28' ' ' ILE . 6.1 Cg_exo -78.17 45.61 1.87 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 122.836 2.357 . . . . 0.0 112.262 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -143.54 131.03 21.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.814 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -154.12 -174.78 5.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.8 m -86.06 38.1 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 63.4 m 62.11 90.61 0.07 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.265 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.3 t -168.88 -29.76 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.058 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 88.7 p 47.42 77.51 0.09 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.304 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -111.49 -172.66 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.816 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.39 -76.76 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.035 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 -69.36 -67.77 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -78.9 78.99 5.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.767 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -100.98 153.32 19.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.129 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.606 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 64.3 m -97.35 165.27 16.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.683 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.606 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 74.0 Cg_endo -75.33 44.94 1.3 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.546 2.164 . . . . 0.0 112.929 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 63.44 156.76 0.06 Allowed 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.074 0.464 . . . . 0.0 111.672 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.64 25.89 64.03 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.883 -0.599 . . . . 0.0 112.894 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.586 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 39.2 m-85 -147.51 141.5 25.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.738 0.304 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -98.95 147.37 25.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.397 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 106.12 18.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.926 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 49' ' ' ALA . 1.2 p -119.78 168.73 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.037 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.459 ' HB3' ' HB2' ' A' ' 52' ' ' GLN . . . 58.13 -168.71 0.13 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.263 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -96.51 74.16 2.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 106.62 20.72 8.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.842 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.459 ' HB2' ' HB3' ' A' ' 49' ' ' ALA . 0.5 OUTLIER -112.05 -178.02 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.713 0.292 . . . . 0.0 110.821 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.586 ' SG ' ' HB3' ' A' ' 45' ' ' TYR . 22.8 t -165.18 119.88 1.3 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.269 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.88 147.05 51.1 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.549 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' HG2' ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -60.78 171.85 1.08 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 0.0 111.24 -179.595 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.603 HD13 ' N ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -104.6 -159.01 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.109 -179.7 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' H ' ' HB2' ' A' ' 56' ' ' LEU . . . -71.84 -153.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.222 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . 58.47 59.39 2.98 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.066 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -158.72 -60.64 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.95 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 tp 57.34 84.77 0.09 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.206 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -166.55 -72.26 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.761 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.7 m-70 -130.87 -160.12 1.02 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.608 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 33.7 m80 65.98 -77.94 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.341 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 65.38 -178.75 0.18 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.948 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.7 m80 59.4 98.39 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -82.62 -30.29 29.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.95 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.445 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.675 0.274 . . . . 0.0 111.238 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.445 ' HD3' ' H2 ' ' A' ' 1' ' ' VAL . 32.3 Cg_exo -58.1 143.1 97.15 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.499 2.133 . . . . 0.0 112.097 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HB3' ' H ' ' A' ' 4' ' ' ASP . 0.5 OUTLIER -160.77 -110.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.183 -179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.43 ' H ' ' HB3' ' A' ' 3' ' ' CYS . 10.7 p-10 -158.75 -148.58 0.19 Allowed 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.619 0.247 . . . . 0.0 110.76 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.82 -27.35 50.96 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.85 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -123.22 83.9 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 179.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 13.6 m -84.28 102.12 12.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.5 p -130.9 99.03 4.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' HA ' ' HD3' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -159.3 147.19 13.39 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 9' ' ' CYS . 1.1 Cg_endo -84.26 167.67 12.08 Favored 'Trans proline' 0 N--CA 1.459 -0.502 0 C-N-CA 123.074 2.516 . . . . 0.0 112.26 -179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.95 160.58 12.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.959 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.8 m 55.71 29.3 13.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -147.11 166.15 27.78 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.4 t -134.43 143.07 47.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.079 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.18 140.49 29.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.832 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.0 p -132.9 162.16 32.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.13 161.61 19.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.822 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.3 mp -130.54 163.8 26.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.862 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -87.53 28.68 0.95 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.195 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 m -128.16 17.68 6.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.735 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 66.75 25.68 72.99 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.662 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -135.94 162.85 31.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.895 0.379 . . . . 0.0 111.082 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -106.49 149.44 27.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.8 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.76 -174.82 16.33 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.922 -0.656 . . . . 0.0 112.411 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 55.3 m -121.17 138.75 54.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.843 0.354 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.461 ' HA ' ' HD3' ' A' ' 27' ' ' PRO . 3.6 t -127.97 136.41 28.98 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 26' ' ' CYS . 17.1 Cg_exo -67.67 -172.6 0.4 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.831 2.354 . . . . 0.0 112.521 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 28' ' ' ILE . 14.9 tt 36.13 76.08 0.47 Allowed Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 115.765 -0.652 . . . . 0.0 112.007 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -90.82 41.38 0.4 Allowed 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 123.035 2.49 . . . . 0.0 112.56 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' OE1' HG23 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -178.17 175.68 1.2 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.662 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -106.23 -50.69 3.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.105 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.419 HG23 ' OE1' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -98.9 65.44 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.054 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 1.8 t -106.51 150.01 26.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.578 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' HB3' ' HB3' ' A' ' 47' ' ' CYS . 34.5 t -149.67 -14.58 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.809 -179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.724 ' HB3' ' HB3' ' A' ' 40' ' ' CYS . 11.7 p -68.49 179.1 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -139.56 -45.15 0.45 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -155.05 -34.63 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.954 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.43 171.61 7.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.034 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -70.9 126.75 30.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.683 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.724 ' HB3' ' HB3' ' A' ' 35' ' ' SER . 7.0 p -114.3 179.18 4.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.547 ' HB3' ' HD2' ' A' ' 42' ' ' PRO . 4.0 m -88.2 161.73 42.46 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD2' ' HB3' ' A' ' 41' ' ' CYS . 17.5 Cg_endo -57.27 178.77 0.14 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.619 2.213 . . . . 0.0 112.511 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.03 140.38 52.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.189 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.99 -38.61 3.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.759 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 41' ' ' CYS . 95.3 m-85 -84.85 150.14 25.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.978 0.418 . . . . 0.0 111.171 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.528 ' O ' ' HA ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -115.27 177.84 4.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.78 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.521 ' H ' HG22 ' A' ' 46' ' ' THR . 0.5 OUTLIER -112.47 133.22 54.66 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.845 0.355 . . . . 0.0 110.849 179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.615 ' H ' ' HA ' ' A' ' 52' ' ' GLN . 0.5 OUTLIER -177.75 178.72 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.952 -179.646 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.541 ' H ' HG22 ' A' ' 48' ' ' VAL . . . 63.61 -166.87 0.22 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.5 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -58.71 -19.63 41.64 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.111 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -119.38 -128.66 3.78 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.088 179.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.615 ' HA ' ' H ' ' A' ' 48' ' ' VAL . 2.2 pt20 -164.34 83.94 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.691 0.281 . . . . 0.0 110.997 179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 46' ' ' THR . 0.4 OUTLIER -179.77 101.36 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.134 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.584 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -154.56 132.72 11.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.688 179.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.19 169.93 8.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.974 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.25 -178.42 5.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.798 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -104.94 -167.62 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.024 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.93 -1.01 57.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 56.67 83.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.198 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.89 59.07 1.75 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 66.57 138.45 0.03 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.084 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.3 p-80 -156.28 -1.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.804 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -127.67 0.3 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.935 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 54.62 69.94 0.67 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.896 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -132.72 163.01 29.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.057 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.3 t-80 -169.24 125.89 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.833 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.645 0.259 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.33 20.06 0.59 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.917 2.411 . . . . 0.0 112.33 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.645 ' HA ' ' HA ' ' A' ' 8' ' ' SER . 1.7 t 60.97 14.25 5.15 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -154.51 -167.65 2.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.401 179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.3 t30 53.22 56.43 7.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 t 59.49 34.98 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.827 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -149.24 161.47 41.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.683 179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.645 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.3 p -154.68 170.57 21.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.083 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.455 ' SG ' ' HD2' ' A' ' 10' ' ' PRO . 0.1 OUTLIER -86.08 153.14 56.87 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.724 179.8 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.455 ' HD2' ' SG ' ' A' ' 9' ' ' CYS . 91.5 Cg_endo -83.78 177.07 6.44 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.57 2.18 . . . . 0.0 112.256 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -66.94 174.59 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.007 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 28.4 m 56.11 35.49 25.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.912 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -156.87 172.7 18.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.955 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -130.91 134.22 46.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.164 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -116.1 129.78 56.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.713 179.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -136.79 -178.59 5.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.068 0.461 . . . . 0.0 111.372 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.1 167.69 21.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' HB2' ' O ' ' A' ' 22' ' ' GLU . 3.6 mt -133.65 141.24 47.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.921 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -74.31 1.24 12.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.5 m -80.23 -28.13 38.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 130.17 -9.89 5.94 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.661 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 18' ' ' LEU . 22.5 mt-10 -129.04 -170.71 2.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.857 0.36 . . . . 0.0 110.742 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 33.6 m95 -103.91 156.1 18.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.574 179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -159.41 178.11 35.67 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.407 -0.902 . . . . 0.0 112.739 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 15' ' ' CYS . 64.1 m -113.14 158.06 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.963 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.43 147.76 38.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.598 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_exo -37.1 121.12 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.634 0 C-N-CA 122.983 2.455 . . . . 0.0 112.766 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.442 ' HA ' ' HD3' ' A' ' 29' ' ' PRO . 16.7 tt -47.36 133.61 9.84 Favored Pre-proline 0 CA--C 1.531 0.215 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.551 -179.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 28' ' ' ILE . 8.5 Cg_exo -72.34 68.33 3.45 Favored 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.053 2.502 . . . . 0.0 112.166 -179.746 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.75 -175.57 4.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.027 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.51 -46.85 4.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.764 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' C ' ' H ' ' A' ' 43' ' ' GLN . 2.7 m -123.13 117.83 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.527 179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.723 ' N ' ' HB2' ' A' ' 43' ' ' GLN . 2.8 p -138.46 120.31 15.37 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.246 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.439 ' H ' ' HA ' ' A' ' 42' ' ' PRO . 4.9 t -86.77 -25.74 24.5 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.695 179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.1 m 64.44 157.81 0.09 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.338 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -168.69 -175.19 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.883 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.31 -14.17 11.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.773 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -125.98 -67.19 0.89 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -75.96 -168.92 0.99 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -143.48 68.18 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.24 140.61 22.15 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.459 ' HA ' ' HA ' ' A' ' 33' ' ' CYS . 77.1 Cg_endo -90.67 175.55 2.6 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 122.938 2.425 . . . . 0.0 112.258 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.723 ' HB2' ' N ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -77.8 -3.2 40.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.803 0.335 . . . . 0.0 110.469 179.606 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.492 ' O ' ' HG3' ' A' ' 55' ' ' LYS . . . -60.81 -7.28 7.9 Favored Glycine 0 C--N 1.332 0.36 0 C-N-CA 120.782 -0.723 . . . . 0.0 111.527 179.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' HB3' ' N ' ' A' ' 54' ' ' GLN . 14.9 m-85 -141.26 174.17 10.79 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.636 ' H ' ' C ' ' A' ' 54' ' ' GLN . 52.8 m -98.4 125.83 43.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.926 0.394 . . . . 0.0 110.156 179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -84.62 90.33 7.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.031 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -114.05 162.23 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.008 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . 59.92 -90.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.334 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -144.16 -104.19 0.12 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.736 0.303 . . . . 0.0 111.064 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -84.4 19.66 17.76 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.809 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -97.59 126.32 42.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.819 0.342 . . . . 0.0 110.751 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.65 124.09 37.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.187 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.636 ' C ' ' H ' ' A' ' 46' ' ' THR . 33.3 tt0 -157.21 118.45 3.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.384 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 44' ' ' GLY . 0.0 OUTLIER -74.92 -161.16 0.13 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.928 0.394 . . . . 0.0 110.968 -179.539 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' HG ' ' C ' ' A' ' 55' ' ' LYS . 0.3 OUTLIER 65.78 -169.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.944 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . 60.21 30.94 20.29 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.876 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -94.5 18.92 10.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.179 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 62.17 103.14 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.26 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mp -120.92 155.43 34.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.24 146.79 34.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.033 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -99.47 89.52 4.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 26.6 m80 -60.06 144.41 49.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.882 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.86 98.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.0 m170 -98.66 -177.08 3.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -75.46 162.11 28.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.863 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 8.5 p80 . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.894 -179.835 . . . . . . . . 0 0 . 1 stop_ save_