data_2d93_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 2d93 _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 ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -50.1 -56.5 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -50.88 -37.99 46.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.62 -36.35 62.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.84 -50.54 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.72 -40.26 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.8 -38.17 70.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.535 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 30.3 mmm -54.88 -42.63 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.41 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 22.9 t60 -61.84 -38.56 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -51.78 -42.26 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 mt -79.8 142.6 56.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -46.1 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.723 2.282 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.44 64.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.535 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 13.1 m-85 -86.64 -9.69 55.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.46 -29.34 16.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.75 -28.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.18 149.32 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.462 HG23 ' CG2' ' A' ' 31' ' ' VAL . 6.8 t -50.63 169.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' ARG . 5.4 tpp -62.38 -55.72 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 m -37.95 -49.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 28' ' ' THR . 57.9 t -57.72 -39.46 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' MET . 52.4 mtt180 -61.04 -55.0 37.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -55.48 -41.81 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.467 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 24.7 mt-10 -62.14 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.08 -41.34 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.29 -17.94 23.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 m -95.63 -9.96 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.27 16.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.463 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 5.8 ptp -112.6 137.64 50.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.3 mt -84.53 158.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -108.76 116.84 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -142.14 142.41 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -146.97 117.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -76.74 128.06 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -93.78 -42.04 9.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -87.5 103.74 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB3' ' N ' ' A' ' 107' ' ' ASP . . . -50.05 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.06 30.03 22.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.9 144.44 25.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.51 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -79.84 125.47 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.8 -39.91 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.9 mt -148.32 143.42 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 1.8 mp0 -103.42 160.21 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -74.87 128.31 35.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 30.59 14.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -109.71 126.91 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.34 95.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 12.3 mt -67.21 115.28 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -122.22 -5.39 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.4 m -125.63 147.9 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -93.85 132.53 38.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 20.2 m-85 -112.63 142.67 44.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.2 t -138.05 124.88 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' CD1' HG21 ' A' ' 69' ' ' VAL . 15.6 mt -69.33 106.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.39 -37.92 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -154.4 149.11 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.13 175.49 50.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.9 m -112.94 144.9 41.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' A' ' 64' ' ' ILE . 19.8 m -126.66 132.84 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -105.55 136.54 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -113.0 139.68 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -120.72 140.66 51.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.39 151.9 44.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.4 29.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' GLY . 2.6 p30 -73.61 -37.44 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . 132.52 27.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -117.57 144.63 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.86 111.08 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.42 158.79 23.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.15 107.85 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.33 153.78 21.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' MET . 37.3 m-85 -132.62 163.56 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' PHE . 12.6 ttt -35.32 120.49 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.57 -36.61 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.67 165.09 6.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.5 p -132.63 153.36 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 27.8 p90 -161.76 157.32 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.94 -95.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 9.0 pt -134.21 168.27 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.33 159.52 33.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.83 2.92 3.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.3 p -100.03 136.38 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.515 HD23 ' CE3' ' A' ' 120' ' ' TRP . 94.8 mt -40.69 -32.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -51.06 124.91 12.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.66 172.99 11.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.7 162.32 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -121.0 134.49 55.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 tpt -60.25 129.39 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.52 39.2 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.34 -178.01 45.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 77.2 mt -116.7 125.78 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.1 t -97.99 141.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -150.91 130.85 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 74.1 p -60.15 155.49 17.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -104.54 -26.57 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.2 m -133.7 170.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -85.44 175.39 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 54.21 43.25 30.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.468 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 7.3 m -88.28 124.17 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -98.58 149.71 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 70.7 m-85 -153.52 174.07 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 6.4 p -145.78 137.72 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -114.41 125.69 54.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 71.4 mt -125.41 128.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.98 147.01 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.34 -58.38 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -41.72 -60.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 -25.44 66.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.1 t80 -77.31 -19.01 57.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.99 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 48.0 t90 -109.43 1.62 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -103.81 -11.53 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.417 ' CG2' HG13 ' A' ' 31' ' ' VAL . 71.2 mt -103.37 -63.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.12 -44.74 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -81.24 -175.94 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.2 m80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.319 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -52.95 -30.55 35.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -77.26 -24.32 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' PHE . 3.9 mt -84.61 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 33' ' ' ARG . 64.1 mt -34.22 -58.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -45.11 -42.3 8.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.507 ' CZ ' ' CD1' ' A' ' 21' ' ' LEU . 2.7 t80 -74.24 -38.08 63.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.51 ' HE1' ' CE1' ' A' ' 24' ' ' PHE . 35.0 mtp -71.82 -11.97 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -84.9 -15.4 44.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -100.11 -2.41 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.507 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 40.1 mt -102.69 143.04 25.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -43.5 2.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.43 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CE1' ' HE1' ' A' ' 18' ' ' MET . 9.2 m-85 -101.73 -22.19 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.99 -32.15 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -46.45 -50.85 16.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.48 165.94 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.427 HG21 ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -74.27 157.25 36.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -46.82 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.4 p -45.16 -34.59 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 28' ' ' THR . 89.4 t -69.78 -38.47 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -56.13 -67.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.5 tmt_? -46.15 -40.39 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.42 -44.86 86.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' C ' ' N ' ' A' ' 37' ' ' SER . 14.1 mt -53.0 -51.99 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -44.9 -21.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' LEU . 4.9 t -69.61 -40.06 76.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.5 m -117.05 24.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' ' CD1' ' A' ' 114' ' ' ILE . 4.0 mmm -88.06 127.35 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mm -86.32 160.96 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -124.31 110.71 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -137.47 142.22 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -140.72 125.99 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -95.8 123.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -92.56 -38.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -81.41 115.55 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 172.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 54.65 22.35 24.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.75 139.39 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.507 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.7 mp -80.06 113.51 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -77.87 -41.56 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.5 mt -148.93 158.86 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -111.86 169.48 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -82.7 138.8 33.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.52 65.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -125.84 122.29 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -56.73 104.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.69 121.41 25.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.49 23.59 8.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.592 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 45.1 p -157.81 118.31 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.451 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 26.2 t90 -71.79 133.06 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 60' ' ' SER . 44.4 m-85 -110.78 143.18 41.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.451 HG21 ' CZ2' ' A' ' 61' ' ' TRP . 64.2 t -135.36 127.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.09 107.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.57 -33.04 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.4 147.84 19.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.86 -178.72 51.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 69' ' ' VAL . 54.1 m -119.55 136.24 54.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.457 ' N ' HG22 ' A' ' 68' ' ' THR . 29.3 m -118.34 133.26 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -110.09 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 81' ' ' LEU . 45.4 mt -107.75 138.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -119.9 133.34 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -106.19 146.26 32.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.88 37.28 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -78.13 -44.0 27.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.19 36.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -132.1 150.98 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.3 t -135.71 109.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.56 139.47 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.69 115.84 25.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 71' ' ' ILE . 9.8 mt -106.74 159.23 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -139.52 171.03 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 20.0 ttt -39.3 119.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.0 -43.76 1.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -64.56 164.65 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -138.17 158.32 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 36.0 p90 -157.48 158.95 36.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.9 -105.65 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.3 pt -121.04 -179.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.42 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -107.92 159.43 30.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.553 0.692 . . . . 0.0 111.174 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 2.81 3.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' ASP . 77.5 p -91.95 133.15 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.424 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 47.1 mt -43.05 -23.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 1.2 m-20 -52.7 171.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -126.59 141.11 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' A' ' 90' ' ' THR . 0.5 OUTLIER -127.36 157.2 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -121.86 125.46 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -44.79 134.65 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -110.96 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.87 -158.44 15.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.75 124.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.68 135.29 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -146.01 131.28 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.1 p -65.32 152.69 43.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -100.78 -24.93 14.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.7 m -134.61 178.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.01 167.84 10.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.3 t0 67.21 33.48 5.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 8.6 m -79.7 139.17 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -112.26 131.94 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 109' ' ' CYS . 51.9 m-85 -138.75 154.7 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.26 141.51 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 114' ' ' ILE . 94.3 m -116.22 150.13 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.462 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 63.3 mt -146.11 125.41 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.97 137.99 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' TYR . 37.2 tt0 -49.94 -64.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -40.22 -58.27 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.25 -26.81 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.4 t80 -75.35 -26.99 59.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 64.3 t90 -101.44 6.61 42.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -100.37 -22.26 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.2 mt -96.56 -71.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -44.2 -43.71 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.87 -175.06 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -64.17 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.38 -23.01 35.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.2 tp -86.41 -52.0 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -43.92 -58.18 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -40.59 -35.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CZ ' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -80.5 -41.8 23.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.517 ' HG2' ' CG ' ' A' ' 24' ' ' PHE . 21.9 mtp -65.96 -12.45 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -82.71 -42.41 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' PHE . 9.0 pt20 -66.64 -25.42 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.531 HD13 ' CZ ' ' A' ' 17' ' ' PHE . 7.5 mt -79.72 141.05 55.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -50.95 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.91 -38.3 67.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 23.6 m-85 -82.6 -28.71 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.78 -30.87 61.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -41.0 -38.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.62 -176.83 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.2 t -89.76 -178.68 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.1 mtp -74.27 -15.21 60.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 t -74.62 -28.94 61.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.429 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 77.6 t -82.23 -40.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -45.07 -46.75 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -57.67 -43.21 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.13 -49.64 75.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 32.5 t -48.01 -20.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -72.46 -36.43 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -116.54 25.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.51 ' HE1' ' CE1' ' A' ' 24' ' ' PHE . 10.6 mtt -88.86 134.8 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mt -103.14 134.06 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -96.4 120.54 36.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -141.07 143.53 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.46 134.49 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.65 123.96 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -94.87 -44.41 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -74.62 100.36 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.0 164.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.15 20.14 53.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.5 149.17 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -85.44 119.93 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mm -84.81 -41.77 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.9 mt -146.16 158.5 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -117.13 150.11 39.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.72 121.85 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 16.49 43.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -94.65 114.41 26.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.05 92.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.401 ' CB ' HG23 ' A' ' 89' ' ' ILE . 16.9 mt -62.44 128.73 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -133.51 12.07 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 m -149.02 139.55 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.651 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 25.1 t90 -85.33 134.73 34.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -118.02 137.41 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.49 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 60.4 t -133.22 125.62 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' CD1' HG21 ' A' ' 69' ' ' VAL . 20.0 mt -66.55 117.69 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.6 mt -98.22 -35.88 10.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -156.51 143.82 19.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.73 -173.05 30.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.6 m -128.95 134.7 48.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' A' ' 64' ' ' ILE . 16.2 m -120.62 140.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -111.67 147.48 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 72' ' ' SER . 45.7 mt -126.0 143.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 71' ' ' ILE . 3.3 m -128.98 134.36 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . 0.419 ' CD2' ' HE2' ' A' ' 77' ' ' LYS . 93.3 m-70 -100.99 148.44 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.89 33.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.34 -44.71 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.21 41.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HE2' ' CD2' ' A' ' 73' ' ' HIS . 24.7 ttpt -133.42 159.79 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.891 0.377 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -144.24 117.11 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -91.56 154.72 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.83 109.26 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.445 ' CD1' HD11 ' A' ' 71' ' ' ILE . 6.5 mt -103.76 158.19 16.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 83' ' ' MET . 63.2 m-85 -140.37 164.74 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.5 ttt -37.68 118.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.31 -33.14 5.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -61.41 -179.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.8 p -152.08 148.36 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -158.63 148.63 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.07 -115.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.401 HG23 ' CB ' ' A' ' 58' ' ' LEU . 8.4 pt -109.91 -175.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.22 158.96 33.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 2.65 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 146.5 23.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.514 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 9.7 mt -52.0 -24.73 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.59 136.13 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -138.22 144.33 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.78 141.82 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.06 147.32 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 15.01 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.46 -158.35 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.0 mt -131.84 127.6 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.01 135.07 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -146.75 130.82 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 p -61.01 163.2 6.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -111.61 -25.02 9.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 m -134.68 -176.33 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.84 -178.73 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.05 30.19 9.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.7 m -79.17 117.32 20.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -95.03 141.97 28.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.6 m-85 -143.47 160.18 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.5 p -126.49 145.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.423 ' C ' HG13 ' A' ' 114' ' ' ILE . 1.8 t -119.36 143.75 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 113' ' ' CYS . 56.2 mt -145.91 120.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.26 154.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.41 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.41 -59.75 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -55.69 -31.62 62.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.651 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 6.4 t80 -75.97 -15.98 60.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.587 ' CD1' ' OD1' ' A' ' 124' ' ' ASN . 43.8 t90 -110.27 1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -105.19 4.76 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.429 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 29.1 mt -122.68 -54.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.26 -31.69 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.587 ' OD1' ' CD1' ' A' ' 120' ' ' TRP . 3.4 m-80 -75.9 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.8 m170 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' LEU . 48.3 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.8 0.333 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -38.19 -56.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -52.25 -40.29 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' ILE . 32.4 tp -69.02 -44.1 73.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 33' ' ' ARG . 84.1 mt -50.32 -45.23 54.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.4 -47.91 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.14 -57.98 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.555 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 13.7 mtp -44.25 -40.28 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -52.78 -38.48 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.66 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.64 138.94 96.89 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.553 0.692 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.0 4.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.9 -20.02 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE1' ' HE2' ' A' ' 18' ' ' MET . 4.5 m-85 -99.64 -36.56 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.88 -30.67 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -41.57 -35.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.89 164.09 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 t -79.73 156.49 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' SER . 4.1 mmt -38.03 -54.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' MET . 53.0 m -35.66 -64.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.45 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 54.2 t -46.71 -54.09 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' LEU . 73.1 mtt180 -48.16 -72.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 tmt_? -38.38 -47.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.55 -43.48 84.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' ARG . 12.1 mt -61.6 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.63 -18.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -71.63 -33.2 68.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.9 24.16 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.432 ' HE1' ' CE ' ' A' ' 18' ' ' MET . 5.1 mtt -82.6 127.91 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 41' ' ' PHE . 87.7 mt -93.65 146.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' N ' HG23 ' A' ' 40' ' ' ILE . 57.9 m-85 -105.14 122.28 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -139.44 149.94 44.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.0 t -149.27 126.81 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.29 124.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.4 -43.72 10.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -87.28 120.34 28.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 173.19 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.39 11.36 20.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 140.38 45.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -77.51 129.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mm -96.41 -38.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.4 mt -151.27 128.42 11.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.96 153.43 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.95 135.02 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.86 31.78 38.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.41 113.16 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.59 101.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 89' ' ' ILE . 3.8 mt -75.14 130.67 39.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 14.21 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.7 m -147.6 139.56 24.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.481 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 26.1 t90 -85.62 137.27 32.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 28.5 m-85 -113.73 149.72 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 94.3 t -147.84 116.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 mt -57.19 116.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.0 mt -97.19 -28.37 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -166.14 144.95 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.76 -158.29 23.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 69' ' ' VAL . 88.1 m -141.45 140.35 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' HG22 ' A' ' 68' ' ' THR . 19.4 m -123.07 131.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -104.23 131.4 51.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.435 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 62.6 mt -108.24 143.39 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 71' ' ' ILE . 3.8 t -129.64 140.66 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -113.21 149.88 42.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.37 34.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.84 -41.71 20.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.73 32.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -125.49 148.79 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 71' ' ' ILE . 38.3 t -136.88 107.01 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.3 165.19 24.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -138.74 115.18 10.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -113.23 154.29 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -137.53 171.34 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.1 ttt -42.71 114.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.04 -35.2 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -61.29 174.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.3 p -144.7 138.18 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -146.44 162.68 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.92 -118.2 2.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 58' ' ' LEU . 9.9 pt -113.11 172.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -93.36 156.86 39.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.1 Cg_endo -69.75 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.355 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.7 p -98.22 135.34 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.457 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 35.8 mt -40.14 -34.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.502 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 34.5 m-20 -46.19 146.92 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -103.45 156.25 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 2.7 mp0 -138.29 173.15 11.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -130.58 131.49 45.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.4 tpt -49.31 104.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -82.35 40.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.11 38.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.1 mt -125.04 133.2 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.3 t -107.87 136.25 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -142.49 130.96 22.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 p -57.77 161.38 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.15 -26.18 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.51 176.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -94.51 173.54 7.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.34 28.4 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 17.7 m -76.82 131.26 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.2 140.67 37.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.8 m-85 -146.27 155.99 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 113' ' ' CYS . 13.4 p -125.71 149.82 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.501 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 3.3 m -128.44 137.56 51.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.4 mt -135.39 120.12 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.6 147.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -59.03 -57.53 12.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -46.12 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -54.74 -35.83 64.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 14.2 t80 -68.83 -19.7 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.564 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 21.3 t90 -110.52 0.42 17.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -103.06 1.54 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 57.0 mt -115.86 -56.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.15 -49.22 72.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.564 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 11.7 m-80 -63.66 177.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.9 m80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.41 -40.34 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -73.64 -38.18 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.2 mt -67.48 -62.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 29' ' ' MET . 70.2 mt -34.36 -61.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' LEU . 8.4 t80 -65.14 -61.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 16.2 mtp -41.25 -30.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.45 ' CG ' HH12 ' A' ' 32' ' ' ARG . 18.5 t-80 -63.88 -43.52 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -58.12 -42.22 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.63 138.91 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -46.3 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -35.29 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 7.0 m-85 -84.43 -20.21 32.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.82 -28.26 40.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -47.43 -40.92 19.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.96 -177.25 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' MET . 6.0 t -94.69 145.37 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 15' ' ' LEU . 11.2 tpt -36.73 -43.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -53.33 -57.78 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.8 t -48.35 -41.73 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.45 HH12 ' CG ' ' A' ' 19' ' ' HIS . 84.0 mtt180 -48.6 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -39.9 -53.26 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -47.61 -40.19 18.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.8 mt -67.9 -47.14 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -49.5 -26.33 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -74.73 -32.96 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.64 17.13 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.404 ' CE ' ' HE3' ' A' ' 18' ' ' MET . 9.0 mtt -81.38 129.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 41' ' ' PHE . 51.0 mt -94.56 143.74 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' N ' HG22 ' A' ' 40' ' ' ILE . 45.8 m-85 -99.26 120.36 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -142.07 137.43 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -139.26 137.15 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.6 t -102.81 123.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.87 -42.17 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.32 125.39 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 170.38 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.45 12.54 26.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.11 138.38 57.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.301 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.545 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -78.37 119.21 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 51' ' ' ILE . 1.9 mm -84.85 -42.14 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.7 mt -148.16 128.09 13.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.49 146.66 23.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 8.9 p-10 -59.0 106.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.42 23.35 6.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' LEU . 63.4 tt0 -99.26 105.82 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -44.46 95.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.3 mt -68.65 119.78 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.66 -5.21 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 m -127.89 143.31 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -87.17 125.43 34.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.61 134.93 49.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.37 127.28 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' A' ' 69' ' ' VAL . 32.0 mt -62.92 112.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.1 mt -89.52 -43.83 10.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -154.09 130.09 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.43 -166.79 12.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.3 m -128.83 148.24 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 64' ' ' ILE . 23.5 m -132.09 138.04 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -111.44 141.15 45.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.2 mt -115.77 134.29 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -120.65 140.5 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -110.81 151.21 42.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -16.76 37.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.69 -46.36 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 32.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -128.55 151.04 49.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.0 t -137.16 117.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -88.02 170.34 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.68 112.28 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.455 HD21 ' ND2' ' A' ' 85' ' ' ASN . 19.4 mt -111.77 153.13 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -133.0 170.97 14.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 21.1 ttt -41.48 113.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.48 -34.06 2.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.586 ' ND2' ' H ' ' A' ' 86' ' ' SER . 3.1 t30 -63.91 175.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.586 ' H ' ' ND2' ' A' ' 85' ' ' ASN . 85.5 p -147.41 145.14 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -162.14 149.66 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' HG22 ' A' ' 89' ' ' ILE . . . 145.94 -87.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.407 HG22 ' C ' ' A' ' 88' ' ' GLY . 6.8 pt -140.67 164.67 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.416 ' HG1' ' NE2' ' A' ' 96' ' ' GLN . 59.9 p -86.67 151.84 53.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.77 2.77 3.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' ASP . 12.3 p -99.72 138.3 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.497 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 11.0 mt -36.97 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.1 m-20 -53.48 143.31 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 32.6 mtpt -94.29 -175.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.541 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -169.9 160.93 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' C ' HD13 ' A' ' 58' ' ' LEU . 3.9 m-85 -121.89 153.76 38.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.457 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -72.15 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.407 ' N ' ' SD ' ' A' ' 98' ' ' MET . 4.5 m-70 -95.83 46.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 166.75 -159.16 32.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -135.16 118.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.461 HG12 ' CG1' ' A' ' 51' ' ' ILE . 15.0 t -93.47 141.19 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -149.8 135.22 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.1 p -64.53 161.4 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -112.43 -13.37 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.48 -179.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.23 162.36 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t70 64.87 48.16 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.0 m -95.62 132.7 40.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -97.55 140.51 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 94.8 m-85 -144.02 162.15 36.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 113' ' ' CYS . 14.8 p -134.45 142.83 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.413 ' N ' HG21 ' A' ' 112' ' ' VAL . 55.6 m -123.89 129.57 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 53.2 mt -126.25 120.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.55 145.59 6.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -55.1 -65.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -38.06 -68.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -49.97 -32.97 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.6 t80 -71.1 -34.74 71.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 23.2 t90 -95.32 -0.69 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -99.3 -2.83 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 76.5 mt -111.54 -50.55 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -69.53 -25.02 63.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 120' ' ' TRP . 2.6 m-80 -91.9 -175.34 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 m170 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.29 -41.5 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -18.01 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 7.6 tp -93.72 -40.72 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.21 -55.3 35.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -42.35 -36.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CZ ' HD12 ' A' ' 21' ' ' LEU . 3.5 t80 -69.83 -52.12 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.457 ' CE ' ' HB3' ' A' ' 32' ' ' ARG . 53.5 mtp -51.88 -28.54 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.2 -29.2 68.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -69.54 -45.57 68.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 HD12 ' CZ ' ' A' ' 17' ' ' PHE . 35.5 mt -70.89 140.27 86.1 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 -39.28 6.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -21.04 63.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CZ ' ' HE3' ' A' ' 39' ' ' MET . 9.2 m-85 -102.42 -40.13 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.65 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -49.03 -33.59 11.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.18 166.9 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -74.73 178.73 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.189 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 tpp -64.0 -54.29 36.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -38.53 -59.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 t -50.14 -45.09 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.457 ' HB3' ' CE ' ' A' ' 18' ' ' MET . 71.8 mtt180 -57.77 -63.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -51.6 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE1' ' CA ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -54.26 -49.87 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.02 -49.73 59.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 9.3 t -47.19 -24.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -68.38 -39.33 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.1 m -110.92 23.47 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.557 ' HE3' ' CZ ' ' A' ' 24' ' ' PHE . 9.6 mtt -87.55 121.16 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.9 mm -89.64 148.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -108.87 109.8 20.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -140.89 137.71 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.83 140.43 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.3 t -97.31 122.63 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.42 -39.2 19.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -90.21 119.09 30.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.11 170.28 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.32 49.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.31 144.9 39.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -82.49 123.44 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -92.32 -40.35 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.2 mt -146.3 151.9 38.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -111.31 143.86 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 2.8 p-10 -64.18 110.03 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.29 7.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -104.11 119.39 38.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.74 100.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.441 ' CB ' HG22 ' A' ' 89' ' ' ILE . 3.9 mt -72.49 123.33 22.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -132.54 20.11 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -153.3 134.47 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.531 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 23.7 t90 -81.08 134.06 35.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.442 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 36.1 m-85 -112.66 143.52 43.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.457 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 87.7 t -140.21 118.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -58.31 113.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -89.25 -42.58 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -155.53 133.81 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.3 -178.93 24.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -120.43 133.02 55.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.81 139.07 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.93 136.77 52.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.0 mt -115.26 142.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.7 m -128.63 136.42 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -106.99 152.03 40.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.11 37.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.95 -46.81 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.58 32.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.459 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -125.16 150.8 46.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.99 110.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -87.71 142.04 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.64 115.42 23.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.8 155.95 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.46 167.5 20.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.9 ttt -41.72 118.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.34 -32.11 5.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -66.76 167.43 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -133.51 149.41 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 5.9 p90 -162.41 154.65 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.19 -102.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.441 HG22 ' CB ' ' A' ' 58' ' ' LEU . 7.3 pt -127.97 177.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.8 p -95.69 152.37 39.08 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.556 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.1 Cg_endo -69.76 2.4 3.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 48.9 p -96.08 152.03 18.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 8.5 mt -51.44 -21.83 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.447 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 6.1 t70 -58.74 162.81 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -116.93 -175.66 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.3 159.96 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.96 147.0 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.78 120.85 13.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.82 40.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 167.85 -163.0 36.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.75 129.52 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.78 142.47 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -151.99 130.87 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -59.6 156.2 13.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -103.54 -25.37 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.04 177.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 178.69 6.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 50.75 45.63 26.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.515 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.8 m -94.76 119.34 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -95.07 143.06 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 90.0 m-85 -144.12 151.85 40.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 10.6 p -121.06 147.19 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.42 ' C ' HG13 ' A' ' 114' ' ' ILE . 98.6 m -124.23 149.38 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 113' ' ' CYS . 62.3 mt -146.42 124.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.49 145.86 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -65.21 -64.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -41.6 -34.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.462 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 20.1 m-20 -87.84 -28.6 21.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 16.7 t80 -74.16 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.536 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 23.8 t90 -109.52 -11.23 14.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' A' ' 118' ' ' ASP . 2.9 ptp180 -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.76 -62.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.77 -64.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.536 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.1 m-80 -54.34 -175.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.1 m170 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.758 0.313 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -65.85 -39.42 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -33.53 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.95 -42.44 60.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.7 mt -59.58 -64.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 5.5 pt-20 -36.09 -37.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.432 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 3.1 t80 -73.33 -55.32 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.5 mtp -46.23 -44.61 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -54.27 -34.01 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -63.46 -48.2 78.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.75 143.05 96.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -42.89 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.27 -36.43 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.08 -40.03 11.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.54 -33.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -54.19 -48.71 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 167.97 13.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 29' ' ' MET . 8.4 t -92.41 149.98 21.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -34.2 -60.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.7 m -41.25 -64.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 32' ' ' ARG . 42.8 t -40.83 -58.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' VAL . 54.8 mtt180 -36.96 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.58 -54.46 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.439 ' CB ' HG23 ' A' ' 122' ' ' ILE . 0.2 OUTLIER -49.23 -51.13 35.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.67 -50.15 55.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -50.35 -28.23 7.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.8 t -68.11 -30.08 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -120.84 25.26 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.5 mtt -89.55 153.84 20.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 113' ' ' CYS . 62.8 mt -114.61 145.55 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.08 115.98 31.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -137.85 139.07 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.4 t -137.69 125.44 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -91.2 123.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -94.72 -44.05 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -83.3 104.8 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.13 166.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.31 18.41 58.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.68 140.85 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -75.96 122.17 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -86.47 -37.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.7 mt -153.76 146.7 24.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -99.86 149.36 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 1.2 p-10 -70.35 121.39 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.1 41.64 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -125.79 108.57 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 39.2 tt0 -38.49 109.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.3 mt -80.31 121.19 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -128.71 31.11 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.8 p -166.5 136.53 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.8 t90 -85.89 141.71 29.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.3 m-85 -119.13 142.45 47.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -137.67 129.31 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.431 ' CD1' HG21 ' A' ' 69' ' ' VAL . 42.7 mt -69.56 116.82 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.6 mt -98.84 -33.91 10.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -161.82 132.89 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.84 -178.0 25.73 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 69' ' ' VAL . 23.7 m -122.35 133.35 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.145 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 64' ' ' ILE . 29.0 m -109.39 146.73 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -117.25 136.65 52.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.6 mt -119.5 137.81 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -129.18 136.9 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -107.02 152.47 41.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.806 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.54 37.48 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -44.41 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.79 33.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -127.69 150.03 49.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -136.73 118.61 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.87 166.69 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.5 113.36 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 mt -110.08 156.53 20.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' MET . 55.3 m-85 -138.11 163.86 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 ttt -35.03 120.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.25 -43.0 1.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -52.49 179.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.2 p -151.79 148.21 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 42.5 p90 -153.36 157.3 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.76 -111.88 1.07 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.7 pt -117.0 -175.76 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.481 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -105.02 157.96 33.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.554 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ASP . 19.4 p -105.01 137.95 41.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.548 HD22 ' CE3' ' A' ' 120' ' ' TRP . 92.7 mt -36.42 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.497 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 77.5 m-20 -40.86 147.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -110.18 142.71 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 1.4 mp0 -134.11 150.56 51.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 3.1 m-85 -117.72 147.31 43.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.458 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 6.8 tpt -71.19 140.73 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -121.66 21.15 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -158.47 -161.92 11.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.408 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 95.9 mt -130.67 130.7 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.458 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 25.7 t -104.91 142.02 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.435 ' N ' HG11 ' A' ' 102' ' ' VAL . 8.2 mtp180 -153.47 132.87 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 p -64.61 151.45 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -100.01 -19.13 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.84 -178.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.1 163.73 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 63.77 47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.1 m -94.68 145.32 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -112.34 140.3 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -147.97 153.34 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 113' ' ' CYS . 14.5 p -123.52 144.53 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.463 ' N ' HG21 ' A' ' 112' ' ' VAL . 80.5 m -122.84 136.44 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.6 mt -133.99 125.38 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.35 142.23 32.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 92' ' ' THR . 2.6 tp60 -52.73 -66.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -38.74 -58.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -59.12 -38.67 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.554 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.4 t80 -63.7 -21.91 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.625 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 14.5 t90 -107.29 -0.24 22.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -97.58 -0.3 46.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 34' ' ' GLU . 60.8 mt -116.96 -62.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.37 -39.09 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.625 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.6 m-80 -72.82 175.55 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.4 m170 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.73 -60.03 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.97 -37.64 53.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.62 -45.93 77.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.5 mt -50.31 -53.32 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -38.76 -45.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE1' HD11 ' A' ' 21' ' ' LEU . 3.8 t80 -67.11 -44.91 78.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' PHE . 19.1 mmm -53.49 -14.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -86.21 -39.53 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -7.27 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.574 HD11 ' CE1' ' A' ' 17' ' ' PHE . 30.3 mt -104.15 138.21 19.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.67 0.748 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.57 3.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.532 ' CE2' HG13 ' A' ' 63' ' ' VAL . 13.8 m-85 -95.53 -30.95 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.18 -39.29 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -38.43 -43.96 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.79 157.32 16.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 29' ' ' MET . 1.6 t -51.91 175.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' ' 29' ' ' MET . 2.3 ppp? -79.36 -16.81 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -68.47 -43.79 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 t -61.05 -23.0 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ARG . 86.3 mtt180 -69.15 -67.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' ARG . 57.3 mtm180 -38.24 -53.85 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.64 -50.84 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' MET . 38.6 mt -56.84 -48.44 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 m -49.94 -21.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t -92.54 -25.5 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -109.42 8.57 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.471 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 0.8 OUTLIER -107.57 130.22 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.72 137.75 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.33 122.22 33.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -143.29 155.79 44.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -153.64 131.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.9 t -91.52 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.79 -40.88 15.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -86.0 120.7 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB3' ' C ' ' A' ' 106' ' ' VAL . . . -64.58 177.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.16 18.7 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.42 140.49 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.8 mp -78.56 124.72 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mm -93.56 -37.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 mt -151.55 152.66 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -113.64 159.79 19.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -72.03 125.22 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.82 29.12 12.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -110.35 119.51 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.02 94.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' CB ' HG21 ' A' ' 89' ' ' ILE . 8.7 mt -65.5 126.87 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.74 8.12 4.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.548 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 4.9 m -140.9 124.73 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.3 t90 -76.1 127.71 33.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 60' ' ' SER . 16.0 m-85 -105.31 146.15 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.532 HG13 ' CE2' ' A' ' 24' ' ' PHE . 70.4 t -138.01 126.62 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.6 mt -67.94 111.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.5 mt -94.41 -30.68 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -163.08 140.04 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.9 -173.29 30.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 69' ' ' VAL . 93.2 m -127.29 138.49 53.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.457 ' N ' HG23 ' A' ' 68' ' ' THR . 29.7 m -122.29 133.38 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -107.59 132.35 53.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -109.32 129.65 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -111.7 143.31 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -116.02 144.32 32.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.44 37.06 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -74.92 -47.92 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.18 33.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -131.77 157.24 44.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 t -144.59 111.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.78 114.3 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -108.04 153.97 22.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -130.04 165.99 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.0 ttt -38.65 120.56 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.91 -40.94 2.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.98 160.68 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.7 p -127.59 160.22 32.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -170.26 159.48 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.77 -81.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.404 HG21 ' CB ' ' A' ' 58' ' ' LEU . 5.1 pt -142.35 -178.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.542 ' HG1' ' NE2' ' A' ' 96' ' ' GLN . 71.1 p -101.12 152.58 37.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.78 3.38 2.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.496 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 12.3 p -99.16 137.58 37.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.555 HD11 ' CZ2' ' A' ' 120' ' ' TRP . 39.9 mt -36.82 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.0 t70 -52.24 163.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 21.6 mttt -113.95 162.41 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.542 ' NE2' ' HG1' ' A' ' 90' ' ' THR . 3.6 mp0 -136.16 147.79 47.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -112.68 133.65 54.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.5 tpt -65.41 124.25 21.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -109.93 38.43 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 179.07 -161.46 27.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.7 mt -130.42 127.33 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.62 132.58 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -146.76 130.93 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 49.0 p -61.17 162.67 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -108.59 -28.15 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.404 ' C ' ' HB3' ' A' ' 47' ' ' ALA . 7.7 m -137.45 178.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 176.01 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 60.21 26.8 16.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 33.0 m -78.4 128.06 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' ' 111' ' ' PHE . 39.4 mt-30 -103.21 155.27 18.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 110' ' ' GLN . 74.4 m-85 -156.94 166.73 32.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 3.5 p -138.78 142.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.42 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.7 m -115.13 143.63 44.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 76.9 mt -143.76 124.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.17 142.74 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 92' ' ' THR . 26.3 tp60 -52.53 -59.74 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -51.12 -56.02 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -23.01 52.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.552 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.8 t80 -82.4 -28.77 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.603 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 25.5 t90 -100.39 1.11 41.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -97.1 -5.42 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 66.2 mt -112.32 -56.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 119' ' ' TYR . 4.5 mp -58.84 -32.85 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.603 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 5.4 m-80 -87.92 -174.99 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.792 0.329 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -45.79 -48.93 15.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.38 -46.46 88.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.8 -57.91 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 18' ' ' MET . 95.8 mt -42.16 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -39.69 -28.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -89.4 -36.01 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' LEU . 16.7 mtp -62.11 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -43.54 -40.35 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 6.5 mm-40 -51.7 -46.45 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 17' ' ' PHE . 14.7 mt -76.55 143.52 72.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.99 15.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.03 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.37 -41.56 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.7 -32.31 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -49.2 -42.78 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.446 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . 3.4 mtt -81.85 160.52 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' MET . 15.2 t -88.08 160.55 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' THR . 5.8 tpt -34.36 -68.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' MET . 65.6 m -36.49 -68.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 27' ' ' MET . 59.2 t -40.61 -56.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -42.56 -52.54 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 ttt-85 -61.98 -57.97 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -40.1 -42.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.5 -45.68 86.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.3 -27.19 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -68.72 -35.3 76.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.407 HG13 ' CG ' ' A' ' 118' ' ' ASP . 22.5 m -112.46 21.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtt -88.47 110.79 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 41' ' ' PHE . 5.0 mp -82.55 145.5 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.401 ' N ' HG22 ' A' ' 40' ' ' ILE . 64.4 m-85 -98.09 123.39 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -142.11 136.74 30.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.8 t -140.04 147.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.2 t -112.5 127.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -94.63 -42.29 8.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -83.85 108.77 17.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.84 178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.16 18.65 2.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.5 142.86 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 2.3 mp -80.28 119.45 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 mm -86.89 -38.51 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt -152.64 133.31 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -89.91 155.36 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 128.23 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 18.52 58.29 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -88.71 115.72 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.48 88.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.446 ' C ' ' CG2' ' A' ' 89' ' ' ILE . 19.1 mt -55.18 118.68 4.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -118.83 -22.56 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m -116.74 148.56 41.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -90.06 133.22 34.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 54.4 m-85 -116.67 132.41 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.413 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 84.7 t -129.49 117.76 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' CD1' HG23 ' A' ' 69' ' ' VAL . 71.4 mt -54.0 104.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt -82.8 -35.38 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -164.22 141.43 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.47 -166.86 19.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 69' ' ' VAL . 69.0 m -133.14 138.08 46.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 68' ' ' THR . 21.5 m -121.94 134.92 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -105.41 133.76 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 72' ' ' SER . 84.2 mt -111.13 135.94 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 71' ' ' ILE . 10.1 t -121.55 132.36 54.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -102.54 147.69 34.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.14 36.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -76.9 -45.36 28.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.27 32.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -129.51 145.35 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.5 t -127.4 125.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.47 136.75 40.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.91 116.41 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 71' ' ' ILE . 40.8 mt -106.64 165.38 11.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -146.32 167.2 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.1 ttt -44.07 115.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.05 -32.78 3.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.45 174.8 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 p -146.61 139.6 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.49 148.95 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.57 -127.27 3.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.446 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 11.2 pt -94.55 179.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 160.6 27.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.475 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.48 3.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.5 p -101.98 138.2 39.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 14.7 mt -42.92 -26.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.41 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 83.5 m-20 -51.34 157.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -101.84 173.8 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 2.1 mp0 -148.52 165.44 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -135.78 129.77 33.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.466 ' HE1' ' CG2' ' A' ' 102' ' ' VAL . 7.1 tpt -59.33 113.61 2.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.24 35.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.37 -174.93 43.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 102' ' ' VAL . 59.0 mt -112.68 135.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.466 ' CG2' ' HE1' ' A' ' 98' ' ' MET . 24.1 t -108.18 137.08 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -147.35 131.06 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 66.0 p -60.46 163.2 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -111.2 -23.8 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.6 m -140.57 178.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -93.28 179.64 5.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.3 27.79 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 4.5 m -78.42 123.21 26.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -96.38 147.35 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -150.71 139.7 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 113' ' ' CYS . 12.4 p -108.53 145.22 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.478 ' N ' HG23 ' A' ' 112' ' ' VAL . 1.8 m -123.32 145.5 48.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 113' ' ' CYS . 64.6 mt -146.85 121.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.62 147.92 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -60.21 -60.48 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 116' ' ' GLN . 11.4 mm-40 -35.66 -62.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.407 ' CG ' HG13 ' A' ' 38' ' ' VAL . 6.1 m-20 -57.2 -36.52 70.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 6.1 t80 -68.06 -12.19 60.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 44.4 t90 -117.22 0.52 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -107.54 -6.42 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.414 ' CG2' HG11 ' A' ' 31' ' ' VAL . 88.7 mt -106.79 -55.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.57 -51.41 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.459 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.4 m-80 -60.01 -176.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.9 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 31.6 mt . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -42.6 -40.62 2.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.34 -36.24 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' LEU . 3.0 mt -72.04 -59.47 2.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -34.11 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.78 -53.76 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.78 -41.0 90.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.429 ' CE ' ' HE3' ' A' ' 39' ' ' MET . 8.1 mtp -58.84 -31.19 68.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -69.59 -17.95 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -80.86 -28.11 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 mt -90.62 141.87 27.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -37.39 9.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.16 72.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -92.79 -15.47 26.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.15 -27.85 48.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.86 -47.81 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 171.59 9.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -86.69 -179.74 6.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 15' ' ' LEU . 2.1 ttt -63.97 -48.17 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -42.37 -56.2 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 122' ' ' ILE . 30.8 t -57.3 -51.73 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -45.27 -63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -48.52 -51.29 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.06 -49.11 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.6 mt -50.09 -48.22 53.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.31 -23.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 p -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.18 23.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.429 ' HE3' ' CE ' ' A' ' 18' ' ' MET . 5.4 mtt -80.65 116.77 20.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 113' ' ' CYS . 4.4 mp -83.86 148.89 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -105.51 117.19 33.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -141.38 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.9 t -144.73 142.69 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.41 126.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.31 -42.36 9.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -80.54 112.29 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 164.48 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.51 21.31 62.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.24 143.26 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.546 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -76.62 131.96 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -101.89 -36.78 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.6 mt -151.17 133.94 15.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -93.97 157.49 16.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.63 133.13 51.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.63 29.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -107.4 124.5 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -67.02 87.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.0 128.15 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -128.22 2.71 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -137.61 142.7 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -87.61 118.64 27.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.594 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 22.3 m-85 -99.17 132.93 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.46 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 79.8 t -129.76 120.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.55 111.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -89.23 -39.24 13.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -159.8 137.94 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.51 -170.46 20.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.1 m -131.12 139.01 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 m -124.05 136.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -104.21 140.48 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 72' ' ' SER . 26.8 mt -116.69 136.96 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' HG22 ' A' ' 71' ' ' ILE . 15.5 t -121.89 141.8 50.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -114.17 147.02 36.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.69 37.07 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.362 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -79.27 -40.52 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.08 35.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -132.73 147.58 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -129.5 115.35 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.19 119.64 34.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -100.81 119.07 38.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 25.2 mt -105.28 166.17 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -142.75 168.58 19.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.0 ttt -44.45 117.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.38 -36.21 3.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.37 166.03 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 p -135.46 160.57 38.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -170.76 152.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.28 -102.35 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.537 ' CD1' ' CB ' ' A' ' 116' ' ' GLN . 18.0 pt -124.08 -174.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -108.17 160.98 24.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.84 3.1 3.01 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.4 p -100.14 150.43 22.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.564 HD13 ' CH2' ' A' ' 120' ' ' TRP . 76.1 mt -58.94 -12.4 4.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -65.84 141.22 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -90.38 163.98 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -145.81 158.81 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -123.19 131.49 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.438 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 6.1 tpt -56.63 132.58 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -107.56 33.52 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.02 -171.55 44.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 102' ' ' VAL . 67.6 mt -117.5 137.83 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.45 ' N ' HG23 ' A' ' 101' ' ' ILE . 20.4 t -112.99 132.72 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -143.25 130.9 21.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 p -56.66 162.95 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -118.04 -9.81 10.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.6 m -149.57 173.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.35 163.25 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 64.38 43.29 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 77.7 m -91.95 123.21 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -95.15 138.72 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 71.5 m-85 -141.51 154.07 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.46 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 14.7 p -123.95 145.91 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 14.1 m -124.9 146.44 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 113' ' ' CYS . 55.0 mt -144.82 120.35 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.88 140.18 15.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.537 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 4.3 pt20 -61.5 -38.28 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 1.4 mp0 -53.43 -52.27 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.78 -32.6 63.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.442 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.0 t80 -64.96 -10.33 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' A' ' 93' ' ' LEU . 20.4 t90 -114.48 -2.23 13.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -99.73 -19.67 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.468 HG22 ' CG1' ' A' ' 31' ' ' VAL . 63.7 mt -89.49 -64.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.3 -60.83 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.471 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 14.1 m-80 -57.97 179.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.737 0.303 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -44.38 -37.59 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' PHE . 4.7 mt -64.06 -61.01 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -34.07 -59.34 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.68 -44.3 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CZ ' ' CD1' ' A' ' 21' ' ' LEU . 2.8 t80 -71.59 -41.48 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.9 mtp -62.16 -12.42 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -85.31 -38.7 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.69 -6.22 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.575 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 42.4 mt -105.69 135.16 19.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -41.72 4.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -30.78 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -95.89 -49.52 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.48 -45.57 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.54 155.12 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 t -65.94 -179.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' SER . 3.4 ttt -61.36 -58.79 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' MET . 18.9 t -35.19 -68.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 93.5 t -37.05 -42.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -64.5 -57.34 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -46.26 -44.67 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 10.5 mt-10 -62.98 -41.87 99.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 122' ' ' ILE . 22.8 mt -60.26 -51.94 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -45.0 -22.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.9 t -70.74 -39.55 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.1 22.22 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.497 ' SD ' ' CD1' ' A' ' 114' ' ' ILE . 4.4 mmm -85.13 107.76 17.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 27.9 mt -83.59 146.38 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -103.92 132.85 49.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -154.08 139.41 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.0 p -143.1 127.77 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' A' ' 49' ' ' ALA . 80.7 t -88.14 125.65 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.95 -43.35 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -86.23 120.01 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 176.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.93 19.46 10.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' ' 44' ' ' VAL . . . -79.41 140.52 37.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -78.53 118.23 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.433 HD12 ' CG2' ' A' ' 104' ' ' THR . 6.4 mm -82.12 -41.67 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.482 HD21 ' CE1' ' A' ' 62' ' ' TYR . 13.4 mt -149.6 142.95 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -102.19 143.36 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -62.2 140.34 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 29.1 39.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -117.6 120.63 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -55.49 91.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 10.4 mt -61.77 110.49 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -117.65 26.52 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 3.6 m -162.64 125.47 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.589 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 19.2 t90 -79.57 131.81 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 60' ' ' SER . 10.8 m-85 -106.91 153.34 22.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.589 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 97.7 t -144.42 127.04 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.72 117.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -96.19 -36.55 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -163.04 132.93 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.93 -170.69 20.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 69' ' ' VAL . 30.6 m -125.91 140.25 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.454 ' N ' HG21 ' A' ' 68' ' ' THR . 20.9 m -123.23 134.86 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -106.8 129.43 54.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.8 mt -106.39 137.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 m -120.24 130.85 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -106.54 146.22 32.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.33 35.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -75.87 -40.55 54.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.95 30.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -123.61 149.79 44.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.8 t -136.79 109.04 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -89.12 133.37 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.96 108.42 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.3 mt -99.67 154.31 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.66 172.19 12.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -44.66 118.38 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.45 -33.14 5.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.82 178.33 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 p -144.94 156.09 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -168.9 147.87 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.24 -79.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -153.39 167.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 160.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.4 p -89.79 150.7 22.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 11.2 mt -66.81 -20.55 65.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.22 130.65 42.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 152.89 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -143.09 138.2 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -108.03 137.16 46.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -60.02 105.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -85.58 33.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.49 47.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.5 mt -120.24 130.98 73.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.36 140.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -152.05 131.06 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.433 ' CG2' HD12 ' A' ' 51' ' ' ILE . 18.5 p -59.83 163.19 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -111.31 -22.89 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.8 m -138.85 -178.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -96.51 170.24 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 61.93 28.47 17.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 6.3 m -79.64 129.73 34.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 111' ' ' PHE . 40.2 mt-30 -102.65 155.27 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.5 m-85 -157.24 169.47 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 40' ' ' ILE . 8.0 p -138.52 146.84 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.2 m -118.96 145.24 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.497 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 55.5 mt -144.86 120.5 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.69 147.94 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -66.33 -49.0 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -51.28 -40.93 60.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.423 ' HA ' ' CD ' ' A' ' 121' ' ' ARG . 10.4 m-20 -76.3 -31.8 58.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 9.1 t80 -68.59 -9.43 49.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.956 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.561 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 18.7 t90 -120.26 0.56 10.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.423 ' CD ' ' HA ' ' A' ' 118' ' ' ASP . 5.9 ptm180 -98.57 -24.52 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' GLU . 60.5 mt -89.2 -62.06 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 124' ' ' ASN . 4.4 mp -54.58 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.549 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 15.3 m-80 -49.31 179.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' GLU . 7.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . 5.3 mm-40 -36.77 -52.86 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.02 -45.52 93.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -50.45 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -49.39 -68.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.16 -36.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -66.55 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.477 ' HG2' ' CG ' ' A' ' 24' ' ' PHE . 2.1 mtt -46.13 -40.22 10.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' NH1' ' A' ' 32' ' ' ARG . 4.6 m80 -51.67 -34.64 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.75 -42.91 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -85.65 136.26 37.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -34.79 13.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' SD ' ' A' ' 27' ' ' MET . . . -55.3 -39.39 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.477 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 21.2 m-85 -85.77 -49.75 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.15 -39.74 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -47.04 -50.13 20.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -72.2 165.17 24.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 t -89.47 158.63 17.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 tpt -38.67 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 m -38.14 -66.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.461 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 79.1 t -39.59 -59.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 19' ' ' HIS . 48.9 mtt180 -40.07 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ARG . 14.8 ttt180 -34.47 -55.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.37 -42.41 70.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ARG . 44.8 mt -62.78 -45.84 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.1 m -54.56 -18.17 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -97.73 -20.63 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.806 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 m -112.8 14.52 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.46 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 5.9 ptp -111.26 146.68 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.4 mt -95.82 154.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -115.96 114.25 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -139.85 153.14 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.45 121.21 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.34 126.89 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -88.91 -41.34 12.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -86.44 119.6 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.72 178.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.38 9.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.36 141.22 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -78.21 118.63 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.441 ' CG1' HG13 ' A' ' 102' ' ' VAL . 2.6 mm -87.74 -42.77 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.29 146.88 30.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -108.38 152.69 24.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -66.88 134.76 52.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.03 30.77 24.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.26 126.61 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.46 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . 8.9 tt0 -66.87 86.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.422 ' CB ' HG21 ' A' ' 89' ' ' ILE . 6.7 mt -54.79 124.12 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -129.74 -3.14 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.3 m -134.18 126.77 30.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.5 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 29.4 t90 -75.72 124.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.0 m-85 -101.59 151.6 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.5 HG21 ' CZ2' ' A' ' 61' ' ' TRP . 61.5 t -139.95 153.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.6 mt -97.44 98.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.35 -36.25 34.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.15 141.48 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.23 177.0 39.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 69' ' ' VAL . 65.5 m -120.55 135.09 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.135 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 68' ' ' THR . 17.5 m -116.55 142.23 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -114.42 140.44 48.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.2 mt -114.26 142.61 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -127.24 130.34 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -102.76 149.49 36.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.29 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.2 -46.53 17.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -126.5 145.84 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -134.91 103.92 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.96 172.93 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.95 109.74 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.6 mt -107.22 153.95 21.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -133.05 162.47 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.4 ttt -38.33 115.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.6 -39.31 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.44 175.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -148.43 149.36 31.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -149.41 164.95 33.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.87 -100.5 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.422 HG21 ' CB ' ' A' ' 58' ' ' LEU . 18.9 pt -127.81 -176.79 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.22 160.41 26.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.551 0.691 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.76 -0.36 6.8 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 34.0 p -97.97 131.43 44.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' THR . 58.5 mt -34.43 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.1 m-20 -42.22 139.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -93.8 176.29 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.34 160.98 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 57' ' ' GLU . 5.2 m-85 -127.41 146.82 50.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 tpt -66.01 136.77 56.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.47 29.46 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.22 -160.06 22.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.9 mt -130.34 127.36 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.441 HG13 ' CG1' ' A' ' 51' ' ' ILE . 13.3 t -98.65 144.34 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -156.5 131.41 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.2 p -64.01 151.22 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -98.01 -28.83 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.09 173.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -91.0 174.18 7.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.31 34.53 20.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 5.9 m -82.16 131.95 35.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -107.63 140.19 41.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 77.2 m-85 -143.15 174.54 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 3.4 p -146.47 142.68 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 10.0 m -116.31 131.61 56.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.0 mt -130.21 122.71 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.44 137.04 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -51.83 -58.65 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -40.31 -54.5 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.24 -30.98 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.9 t80 -69.69 -21.22 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.646 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 42.3 t90 -109.89 1.86 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -99.77 -13.29 19.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 53.1 mt -103.35 -50.55 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.47 -33.4 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 5.1 m-80 -83.98 -174.96 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m170 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.36 -45.42 8.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.7 -45.04 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' LEU . 3.1 mt -63.13 -59.75 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . 70.3 mt -35.23 -48.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.23 -49.09 79.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CZ ' ' CD1' ' A' ' 21' ' ' LEU . 2.8 t80 -61.18 -56.1 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.566 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 10.6 mtp -44.75 -42.91 8.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.404 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 3.6 t-80 -53.17 -37.73 62.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -66.39 -41.73 88.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.531 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 7.2 mt -68.48 141.3 93.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -40.36 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.4 -42.17 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 35.0 m-85 -86.16 -17.95 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.37 90.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -53.61 -21.76 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.5 mtt -100.43 168.09 9.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -98.62 -178.16 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' ARG . 33.2 tpp -59.08 -66.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 29' ' ' MET . 58.4 m -35.28 -44.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 48.2 t -61.6 -45.59 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' MET . 96.9 mtt180 -56.14 -69.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -42.27 -46.56 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -58.31 -49.62 76.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.99 -48.2 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 t -55.18 -15.43 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -93.37 -20.28 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.06 21.54 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.432 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 2.9 ptp -115.02 141.02 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 41' ' ' PHE . 4.3 mp -90.79 159.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.488 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 27.3 m-85 -113.56 109.57 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -135.59 148.99 49.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.6 124.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.13 132.17 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -97.13 -35.99 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -97.1 110.09 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.24 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.91 17.74 30.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.9 136.85 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.2 mp -79.2 110.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mm -73.59 -42.53 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -142.12 179.35 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.79 134.34 38.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.453 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 1.2 t70 -60.16 134.42 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.81 39.61 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' OE1' ' A' ' 56' ' ' GLN . 0.9 OUTLIER -128.12 143.83 51.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.309 . . . . 0.0 110.932 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.95 99.77 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 88' ' ' GLY . 8.5 mt -64.05 119.25 9.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.15 25.95 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -166.8 135.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.525 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 27.6 t90 -88.16 121.19 30.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.416 ' C ' HG23 ' A' ' 63' ' ' VAL . 57.2 m-85 -100.95 151.25 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 62' ' ' TYR . 61.4 t -138.4 147.72 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mt -87.31 102.41 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.92 -35.74 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -163.52 135.56 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.12 -168.55 14.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.2 m -133.23 132.98 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 111.139 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.0 132.6 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -104.48 129.88 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 72' ' ' SER . 69.2 mt -109.72 136.25 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 71' ' ' ILE . 25.5 t -118.25 142.81 47.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -110.87 147.15 35.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.29 37.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 -45.56 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.9 36.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -132.49 150.03 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.66 113.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -87.67 144.89 26.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.71 107.39 11.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.3 mt -100.78 149.89 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -124.67 169.38 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.8 ttt -45.15 115.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.66 -33.44 3.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -71.48 159.74 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 p -131.47 153.36 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -156.27 156.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 58' ' ' LEU . . . 139.06 -85.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.608 ' CD1' ' CB ' ' A' ' 116' ' ' GLN . 7.7 pt -143.02 -176.15 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.08 160.55 26.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.73 0.89 4.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.9 p -97.38 130.88 44.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 77.1 mt -38.18 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.991 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.1 m-20 -48.95 149.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 173.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -159.52 153.17 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.32 133.82 55.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 tpt -53.02 147.36 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -126.18 43.39 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.453 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 159.1 173.96 28.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.1 mt -103.99 125.47 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 t -96.12 133.87 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -145.88 130.85 18.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 57.6 p -59.31 161.41 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -108.49 -32.15 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.74 171.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.88 172.9 11.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.4 t0 59.74 44.0 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 8.6 m -93.8 123.2 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.86 149.06 22.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 84.6 m-85 -151.51 167.98 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 113' ' ' CYS . 12.3 p -138.32 142.67 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.436 ' N ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -110.49 139.92 45.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.4 mt -146.4 120.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 142.77 55.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.608 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 6.0 pt20 -61.87 -40.58 95.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 12.8 mm-40 -51.81 -50.11 61.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.43 -28.93 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 4.4 t80 -66.24 -13.09 59.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 59.3 t90 -113.02 4.45 16.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -104.95 -24.02 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 85.5 mt -92.42 -62.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -54.98 -57.28 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.422 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 8.7 m-80 -58.86 -177.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 29.4 m170 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.773 0.32 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.22 -54.73 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 5.6 pt20 -57.97 -49.32 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.59 -57.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -48.58 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 13' ' ' GLN . 7.9 pt-20 -40.52 -34.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.84 -48.25 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mtp -50.87 -31.88 18.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -64.84 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.27 142.23 74.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.54 3.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.8 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -86.73 -40.54 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.99 -33.09 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -46.13 -46.58 17.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.41 161.27 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -86.32 173.46 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 ttt -50.9 -46.41 60.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -41.57 -66.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -48.97 -48.72 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 35' ' ' LEU . 58.3 mtt180 -49.29 -69.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -38.38 -52.52 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.64 -41.21 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' ARG . 13.0 mt -64.17 -52.49 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t -68.22 -36.78 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' LEU . 31.9 m -115.21 22.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 114' ' ' ILE . 2.6 mmm -88.96 115.68 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.63 148.62 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.79 133.14 46.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -150.86 129.14 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.9 t -137.33 127.34 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CB ' ' A' ' 49' ' ' ALA . 58.8 t -94.63 122.84 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -89.61 -39.63 13.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.0 118.9 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 176.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.98 23.88 12.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' CB ' HG12 ' A' ' 44' ' ' VAL . . . -81.18 140.3 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -80.19 121.82 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.454 ' CG1' HG13 ' A' ' 102' ' ' VAL . 2.5 mm -85.37 -40.22 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 62' ' ' TYR . 27.1 mt -148.79 171.21 16.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.3 146.94 51.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.83 126.61 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.29 29.44 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -118.95 118.38 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.59 96.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 6.8 mt -64.56 118.97 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 59' ' ' ASP . 35.9 p30 -128.39 27.61 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -160.49 141.41 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 20.9 t90 -92.17 123.04 35.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.7 m-85 -105.99 117.36 33.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.442 HG23 ' CZ2' ' A' ' 61' ' ' TRP . 95.0 t -113.99 123.04 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 69' ' ' VAL . 37.1 mt -60.39 112.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -94.24 -36.04 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -159.89 149.83 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.39 -163.9 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 69' ' ' VAL . 88.1 m -134.98 137.55 43.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' HD11 ' A' ' 64' ' ' ILE . 28.4 m -120.89 130.02 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.61 126.55 52.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.3 mt -104.01 144.46 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 m -131.38 117.08 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -89.03 151.04 46.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.226 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.77 -43.28 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.76 31.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -123.73 152.7 41.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.4 t -136.86 108.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -87.67 135.46 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -112.18 107.11 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.1 152.13 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.82 172.82 11.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.5 ttt -44.78 118.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.64 -43.16 1.54 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.92 165.95 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 p -134.23 157.35 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 62' ' ' TYR . 27.3 p90 -166.21 147.32 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.36 -100.23 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 6.8 pt -130.62 171.04 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.442 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -102.3 162.01 21.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.6 0.714 . . . . 0.0 111.104 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 4.27 2.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -98.29 129.1 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.6 mt -42.98 -29.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -39.46 130.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -73.68 146.17 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.442 ' NE2' ' OG1' ' A' ' 90' ' ' THR . 17.2 mt-30 -141.72 130.88 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.01 133.16 52.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.04 143.14 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -124.59 40.49 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.15 179.36 45.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.31 120.95 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' A' ' 51' ' ' ILE . 4.5 t -92.86 142.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -151.38 130.88 12.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 55.5 p -60.15 167.73 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -114.71 -27.47 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 m -134.89 -177.25 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.85 170.06 9.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 56.18 48.63 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 44.7 m -95.02 134.53 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -101.22 145.92 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 76.4 m-85 -153.98 139.7 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.403 ' CG2' ' SD ' ' A' ' 39' ' ' MET . 4.4 p -108.0 151.09 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 m -127.8 146.84 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.498 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 65.9 mt -146.93 118.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.13 139.1 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -49.46 -56.46 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -43.18 -66.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -51.04 -44.57 61.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.613 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.4 t80 -53.88 -35.13 61.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.534 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 57.0 t90 -95.67 2.59 54.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -99.28 -18.28 17.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 53.2 mt -99.04 -70.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -45.85 -40.37 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.477 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 6.9 m-80 -76.42 -175.12 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -70.87 -34.33 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' CD1' ' SG ' ' A' ' 36' ' ' CYS . 7.7 mt -72.95 -60.5 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -42.4 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 13.6 pt-20 -42.51 -39.99 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -71.08 -39.09 72.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.407 ' CE ' ' HE2' ' A' ' 39' ' ' MET . 15.9 mtp -65.2 -14.55 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.496 ' CD2' HH12 ' A' ' 32' ' ' ARG . 8.4 t-80 -80.35 -15.62 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -94.2 -13.62 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' CZ ' ' A' ' 17' ' ' PHE . 43.9 mt -102.99 140.26 20.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.72 -35.79 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -93.32 -35.31 13.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.01 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -70.46 -7.58 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.78 152.51 50.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -54.51 161.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.86 -44.81 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 t -51.91 -23.48 4.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 t -87.25 -25.82 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.496 HH12 ' CD2' ' A' ' 19' ' ' HIS . 96.9 mtt180 -68.16 -54.08 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.05 -45.58 75.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.56 -38.96 70.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.84 -45.05 91.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.426 ' SG ' ' CD1' ' A' ' 14' ' ' LEU . 49.0 t -52.25 -23.8 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -74.66 -35.18 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.32 21.48 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.407 ' HE2' ' CE ' ' A' ' 18' ' ' MET . 4.6 mtt -84.57 140.12 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.8 mm -102.34 157.79 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -113.3 114.36 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -141.46 142.4 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.25 125.47 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -90.31 123.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -91.38 -43.44 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -81.9 103.54 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.55 171.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.12 33.14 37.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.11 146.48 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.08 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 50' ' ' ILE . 2.7 mp -80.57 123.47 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 104' ' ' THR . 3.2 mm -92.5 -35.7 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.5 mt -154.72 127.06 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -87.0 152.0 22.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.51 109.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.86 24.03 8.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -97.86 109.68 22.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -45.81 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 88' ' ' GLY . 13.5 mt -66.99 114.31 5.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -125.26 33.89 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.7 p -169.36 133.54 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' A' ' 86' ' ' SER . 15.2 t90 -82.51 121.92 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.533 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 m-85 -104.03 137.7 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.1 t -134.37 117.2 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.7 mt -53.65 115.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.58 -43.29 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -155.76 121.34 4.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.79 -168.75 13.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 69' ' ' VAL . 98.9 m -132.21 135.37 46.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' THR . 17.0 m -117.29 133.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -104.76 132.36 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.3 mt -110.05 131.41 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -118.85 127.54 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -98.69 148.77 35.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.49 37.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -76.23 -43.89 40.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.29 33.12 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.93 156.18 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.9 t -137.89 118.33 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.96 121.47 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.81 118.65 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.434 HD22 ' ND2' ' A' ' 85' ' ' ASN . 48.9 mt -110.56 163.85 13.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 83' ' ' MET . 25.7 m-85 -144.73 158.95 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 82' ' ' PHE . 9.9 ttt -34.52 110.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.53 -25.48 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 81' ' ' LEU . 3.6 t-20 -75.79 171.73 13.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.419 ' HB2' ' CZ2' ' A' ' 61' ' ' TRP . 58.7 p -141.0 129.62 22.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 8.3 p90 -144.16 154.01 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 58' ' ' LEU . . . 139.28 -83.8 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 116' ' ' GLN . 10.1 pt -142.98 175.58 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.446 ' H ' ' NE2' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -101.32 160.53 26.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.522 0.677 . . . . 0.0 111.183 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.8 Cg_endo -69.79 0.92 4.97 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' ASP . 58.4 p -92.79 134.54 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.512 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 19.8 mt -42.28 -24.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 92' ' ' THR . 3.7 t70 -58.76 155.88 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -100.63 165.72 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.446 ' NE2' ' H ' ' A' ' 90' ' ' THR . 3.7 mp0 -147.67 147.9 30.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.49 149.01 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.467 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -64.94 112.41 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -83.7 37.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' N ' ' SD ' ' A' ' 98' ' ' MET . . . 163.67 -161.9 34.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.27 123.52 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.467 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 18.8 t -98.66 140.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -148.33 131.13 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 51' ' ' ILE . 14.6 p -61.25 154.61 23.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -103.5 -22.2 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.48 173.19 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.4 175.8 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.18 40.88 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.12 129.7 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -95.84 135.24 37.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.31 142.53 37.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 113' ' ' CYS . 14.4 p -116.49 143.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 112' ' ' VAL . 56.8 m -120.49 149.37 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 52.1 mt -144.82 119.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.15 147.89 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 93' ' ' LEU . 3.2 tt0 -65.03 -58.82 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -40.03 -49.51 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.41 -38.6 77.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.8 t80 -62.28 -23.71 66.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 53.0 t90 -101.0 4.65 42.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 121' ' ' ARG . 14.5 ttm105 -102.98 -27.34 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 52.7 mt -87.29 -72.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.05 -54.79 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.448 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.0 m-80 -55.31 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LEU . 33.9 mt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -46.09 -42.08 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.98 -26.57 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 34.0 tp -78.46 -47.3 17.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -49.49 -53.58 22.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -44.27 -48.86 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' A' ' 21' ' ' LEU . 1.9 t80 -60.41 -58.61 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.555 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.5 mtp -42.23 -47.31 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.498 ' CD2' HH12 ' A' ' 32' ' ' ARG . 2.3 t-80 -45.85 -42.22 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -58.02 -44.15 87.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 ' CZ ' ' A' ' 17' ' ' PHE . 11.8 mt -69.73 139.21 88.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.61 0.719 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.9 9.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.34 79.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 20.8 m-85 -88.76 -39.81 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.79 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -42.8 -45.27 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.3 mtt -76.06 161.36 28.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.4 t -85.27 160.65 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.66 -53.54 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' VAL . 28.3 m -47.57 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 80.6 t -36.26 -54.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.498 HH12 ' CD2' ' A' ' 19' ' ' HIS . 93.4 mtt180 -45.47 -49.52 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -61.81 -54.04 47.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -51.6 -36.45 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.34 -49.33 76.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 49.4 t -59.78 -12.11 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -97.7 -10.08 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 m -132.54 21.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.461 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 3.4 ptp -114.31 156.47 24.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 113' ' ' CYS . 34.6 mt -106.03 145.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.43 ' N ' HG23 ' A' ' 40' ' ' ILE . 41.8 m-85 -102.18 103.67 14.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -127.99 156.67 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.8 123.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -78.38 131.59 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -95.8 -38.71 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -92.43 111.31 22.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.406 ' HB3' ' CG ' ' A' ' 107' ' ' ASP . . . -53.45 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.34 35.97 2.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.05 138.63 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.4 mp -74.55 110.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.45 ' CG1' HG12 ' A' ' 102' ' ' VAL . 6.7 mm -76.81 -42.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -143.99 155.89 44.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -111.51 150.56 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.03 138.78 57.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.08 40.07 62.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -117.87 113.76 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -50.29 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.38 127.94 34.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.49 -28.81 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 m -104.4 153.58 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.618 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 21.6 t90 -97.38 145.29 26.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 27.4 m-85 -128.43 128.55 44.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.555 HG23 ' CZ2' ' A' ' 61' ' ' TRP . 97.2 t -122.9 134.51 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mt -72.43 104.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.6 mt -83.71 -41.87 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -156.02 138.89 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.68 -177.32 26.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.488 ' CG2' ' HG3' ' A' ' 105' ' ' LYS . 92.6 m -121.63 138.46 54.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.136 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.45 ' N ' HG21 ' A' ' 68' ' ' THR . 21.0 m -122.81 135.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -111.67 141.5 45.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.4 mt -114.72 135.58 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t -118.56 131.6 56.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -101.68 148.09 34.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -16.28 37.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -75.48 -45.84 36.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.7 33.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -128.34 163.04 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -147.88 119.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -92.0 168.6 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.23 107.21 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mt -100.19 155.87 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -127.56 177.51 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ttt -53.54 118.04 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.22 -31.52 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.85 170.34 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.9 p -142.12 142.48 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.9 p90 -145.25 147.76 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.68 -106.66 0.49 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.0 pt -121.62 159.77 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 111.098 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.89 158.86 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.543 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.4 Cg_endo -69.75 2.74 3.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.406 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' LEU . 71.8 p -99.15 131.12 45.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 17.1 mt -34.93 -36.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' THR . 34.6 m-20 -44.1 141.07 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -78.64 169.18 18.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -145.7 132.39 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -110.71 139.98 45.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.0 tpt -77.38 142.42 39.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -123.17 31.75 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.86 -169.05 37.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.9 128.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.45 HG12 ' CG1' ' A' ' 51' ' ' ILE . 42.8 t -99.18 139.25 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -145.87 134.25 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.2 p -59.04 165.22 2.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.488 ' HG3' ' CG2' ' A' ' 68' ' ' THR . 3.6 mmpt? -108.34 -27.34 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.19 -178.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -94.38 162.66 13.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.22 46.66 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 34.5 m -94.02 128.58 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -97.84 143.83 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -146.4 172.3 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 8.1 p -141.87 140.46 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 1.8 t -115.15 130.74 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.1 mt -133.61 127.61 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.71 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 119' ' ' TYR . 35.0 tt0 -60.97 -63.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.2 mp0 -37.53 -55.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -61.81 -35.52 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.618 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.6 t80 -65.29 -36.95 85.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 45.0 t90 -94.05 3.11 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -101.53 -26.94 13.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 60.6 mt -89.19 -59.33 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.43 -64.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.532 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 12.5 m-80 -52.97 -178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.732 0.301 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -46.21 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -60.93 -13.26 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.92 -45.34 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' MET . 22.8 mt -56.44 -65.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 6.3 pt-20 -38.87 -36.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 21' ' ' LEU . 1.5 t80 -75.03 -38.92 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 24' ' ' PHE . 11.1 mmm -57.4 -49.7 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.26 -23.12 62.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.441 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 4.6 mm100 -67.31 -13.58 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 17' ' ' PHE . 77.5 mt -103.8 144.86 29.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.83 5.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -26.64 68.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' A' ' 18' ' ' MET . 2.7 m-85 -97.56 -25.08 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.34 12.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.65 -40.38 59.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.0 mtt -87.73 166.08 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -108.37 173.36 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.4 mmm -41.55 -59.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -39.38 -69.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' CG1' HD12 ' A' ' 35' ' ' LEU . 19.9 t -44.47 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.7 -47.0 30.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -61.17 -49.44 77.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -56.9 -50.74 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 HD12 ' CG1' ' A' ' 31' ' ' VAL . 27.7 mt -51.99 -48.35 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 t -47.09 -20.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t -76.73 -36.23 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.8 m -114.4 23.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.501 ' SD ' ' CD1' ' A' ' 114' ' ' ILE . 1.5 mmt -90.93 119.37 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mt -86.75 140.62 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.45 ' C ' ' OE1' ' A' ' 42' ' ' GLU . 47.6 m-85 -97.0 126.9 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 41' ' ' PHE . 20.5 mp0 -143.33 145.72 32.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.56 124.77 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.5 t -93.55 126.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.21 -36.94 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -83.69 112.66 20.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 167.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.98 24.14 57.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.13 140.05 35.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 2.2 mp -78.7 117.6 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.9 mm -83.26 -40.51 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.3 mt -143.79 172.44 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.21 133.7 41.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 2.5 t70 -56.57 124.93 19.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.63 33.79 9.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -119.56 110.94 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 8.1 tt0 -46.68 99.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.7 126.75 29.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -129.72 28.67 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -171.64 142.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -86.57 138.5 31.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 37.2 m-85 -120.1 135.59 54.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.6 t -136.46 120.56 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 69' ' ' VAL . 16.3 mt -54.4 119.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 111' ' ' PHE . 92.8 mt -97.09 -41.31 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -156.0 135.46 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.79 -170.52 20.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 m -122.26 150.13 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.11 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 64' ' ' ILE . 31.1 m -133.62 133.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -112.68 131.53 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.454 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 51.8 mt -107.67 140.23 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -124.11 147.77 47.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -117.31 146.77 39.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.49 37.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.236 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.99 -47.36 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.98 37.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -136.54 149.41 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 71' ' ' ILE . 31.8 t -138.37 116.38 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -88.23 158.47 18.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.07 111.56 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 71' ' ' ILE . 66.3 mt -106.41 154.81 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' MET . 42.4 m-85 -132.88 160.15 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' PHE . 17.2 ttt -36.52 109.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.97 -33.29 2.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.408 ' CG ' ' CD2' ' A' ' 81' ' ' LEU . 7.8 t-20 -68.2 174.17 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 p -145.23 136.16 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -143.96 146.81 33.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 145.52 -112.7 0.66 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.7 pt -119.91 -178.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -103.41 157.93 32.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.73 1.37 4.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.618 2.212 . . . . 0.0 112.378 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.7 p -100.23 135.47 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 42.8 mt -35.87 -32.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 7.9 m-20 -46.54 143.64 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -104.61 161.7 13.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -156.48 147.92 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 3.6 m-85 -103.59 160.57 14.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.469 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 12.7 tpt -69.8 151.41 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.62 34.0 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 164.63 -167.81 38.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.3 mt -116.48 140.94 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.469 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 41.1 t -115.11 130.88 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -142.93 130.81 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.2 p -61.24 158.44 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -28.89 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.52 -176.62 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.22 168.86 9.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 70.61 26.4 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.3 m -81.1 136.73 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -112.1 143.5 43.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.421 ' C ' HD11 ' A' ' 65' ' ' LEU . 70.6 m-85 -142.58 164.92 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.3 p -129.0 148.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.436 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 21.5 m -127.77 147.82 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 63.1 mt -146.53 125.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.52 129.26 39.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 119' ' ' TYR . 34.8 tt0 -40.87 -64.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 116' ' ' GLN . 30.7 mm-40 -36.48 -59.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -63.62 -30.42 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.0 t80 -72.23 -19.31 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 43.4 t90 -110.19 2.38 19.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -98.18 -15.26 19.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 57.4 mt -101.97 -69.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.42 -46.26 18.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.53 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 10.9 m-80 -72.4 -175.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.815 0.34 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.44 -32.75 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -79.45 -18.93 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' PHE . 4.0 mt -91.79 -62.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' LEU . 14.3 mt -35.7 -55.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 12.0 pt-20 -56.24 -40.58 74.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.2 t80 -67.28 -37.07 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.482 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 38.9 mtp -62.1 -11.93 16.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -81.4 -7.42 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -103.76 -15.51 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.534 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 30.9 mt -97.3 137.73 21.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -43.66 2.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.3 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.01 -28.41 57.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CE1' ' HE2' ' A' ' 18' ' ' MET . 30.4 m-85 -95.51 -51.65 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.14 -32.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.42 -49.07 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.441 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . 7.1 mtt -72.02 174.95 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' MET . 8.9 t -96.67 160.58 14.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' THR . 1.1 tpt -36.59 -68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' MET . 39.4 m -38.43 -66.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 27' ' ' MET . 20.3 t -38.09 -59.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -39.13 -58.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -53.44 -54.99 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.432 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 13.7 mm-40 -46.56 -47.5 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.53 -52.01 50.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.6 t -55.91 -16.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -72.87 -31.84 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.38 19.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.7 mtt -74.75 134.58 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.4 mt -97.16 151.18 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -109.77 109.38 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -141.92 132.81 25.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.89 129.03 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.7 t -84.36 127.2 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -88.37 -34.13 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -95.18 123.53 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.98 176.54 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.0 33.38 29.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.23 144.28 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.312 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -81.07 117.66 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.16 -40.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.1 mt -145.19 172.91 12.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -133.06 143.19 49.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -63.93 126.8 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.37 23.52 24.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -107.73 122.27 46.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 91.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' C ' ' CG2' ' A' ' 89' ' ' ILE . 5.6 mt -65.66 124.86 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.63 -8.69 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 139.82 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.1 t90 -91.56 119.03 31.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 6.8 m-85 -101.18 145.9 28.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.6 t -138.26 139.55 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 69' ' ' VAL . 11.3 mt -80.74 123.6 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.6 mt -107.48 -35.18 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -153.21 134.54 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.55 -169.85 19.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -132.72 133.54 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.152 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 64' ' ' ILE . 23.3 m -113.19 141.51 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -116.62 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mt -111.36 134.59 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -118.07 140.1 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -111.86 148.34 38.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -17.98 36.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.11 -49.69 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.45 34.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -127.72 146.86 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.5 t -133.91 101.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 159.59 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.39 106.85 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.515 ' CD2' ' CG ' ' A' ' 85' ' ' ASN . 15.3 mt -99.85 153.55 19.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -128.61 166.79 18.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.9 ttt -39.7 110.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.09 -34.19 2.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . 0.616 ' ND2' ' H ' ' A' ' 86' ' ' SER . 1.4 t30 -74.74 170.2 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.616 ' H ' ' ND2' ' A' ' 85' ' ' ASN . 0.7 OUTLIER -145.6 146.07 31.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 10.4 p90 -142.22 151.45 42.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.5 -112.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.528 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.414 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 7.2 pt -115.32 -175.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.33 160.2 30.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 0.53 5.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' ASP . 46.7 p -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.466 HD11 ' CZ2' ' A' ' 120' ' ' TRP . 20.7 mt -37.82 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.47 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.7 m-20 -48.69 150.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.89 175.36 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 6.5 mp0 -150.41 165.42 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -139.14 132.53 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.0 tpt -65.07 139.4 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -120.53 32.29 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.18 178.98 48.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.41 117.8 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.55 141.63 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -149.47 130.84 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.9 p -60.1 158.99 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -104.44 -34.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.0 -179.38 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.39 168.1 11.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.22 48.42 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 35.9 m -93.16 127.93 38.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -99.22 145.46 27.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 109' ' ' CYS . 64.6 m-85 -152.32 153.37 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 113' ' ' CYS . 13.6 p -126.41 142.23 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 63.1 m -120.19 143.56 48.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 74.6 mt -136.61 119.54 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.82 136.81 39.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' TYR . 32.8 tt0 -49.35 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.4 mp0 -36.94 -61.5 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.23 -30.32 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.1 t80 -71.32 -23.36 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 9.9 t90 -104.28 -2.31 25.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -98.86 -0.13 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 34' ' ' GLU . 72.5 mt -112.75 -59.92 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -84.99 -175.78 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -40.61 -58.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -53.08 -33.44 52.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 -51.12 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -56.93 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 5.3 pt-20 -46.7 -31.97 3.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -82.99 -37.68 23.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.551 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 28.3 mmm -49.0 -20.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -69.84 -35.36 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.548 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 22.8 mt-30 -60.46 -38.69 85.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -83.95 133.81 45.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.664 0.745 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.56 9.01 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.697 2.264 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.28 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 21.7 m-85 -89.42 -48.5 7.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.66 -51.33 21.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -40.94 -41.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.0 mtt -69.43 176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' MET . 1.3 p -103.46 158.41 16.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' THR . 14.7 tpt -35.89 -56.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -49.69 -66.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 93.9 t -46.87 -54.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 28' ' ' THR . 44.9 mtt180 -45.69 -57.88 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.8 -58.34 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -40.46 -44.52 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.54 -45.68 91.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.6 t -59.72 -14.59 14.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -97.03 -8.01 31.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 m -130.12 8.62 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.469 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 2.1 ptp -103.13 135.9 43.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 41' ' ' PHE . 30.6 mt -82.39 160.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.446 ' N ' HG23 ' A' ' 40' ' ' ILE . 35.2 m-85 -111.23 109.36 19.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.5 150.0 51.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.26 120.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.3 t -84.04 129.85 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -93.92 -39.19 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.29 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.94 -175.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.0 33.23 2.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.5 141.37 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.063 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -79.54 110.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mm -74.28 -42.19 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -146.09 161.34 40.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -115.71 141.62 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -56.93 129.72 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.03 62.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.11 117.85 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.05 93.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.45 ' C ' ' CG2' ' A' ' 89' ' ' ILE . 6.3 mt -64.48 117.76 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -121.59 -28.96 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.471 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 1.4 m -108.78 132.44 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -77.06 139.42 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.6 m-85 -118.32 128.87 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 53.7 t -122.6 126.2 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 69' ' ' VAL . 95.5 mt -66.78 110.45 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.45 -36.9 13.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -157.8 140.07 14.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.67 -176.63 33.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.0 m -124.96 135.12 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.163 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 64' ' ' ILE . 20.3 m -116.46 132.22 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -104.21 129.18 51.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.6 mt -104.3 138.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 p -115.73 129.2 56.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.61 146.31 32.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.16 32.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.94 -39.43 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.94 32.63 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.48 161.31 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.6 t -143.62 115.44 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.12 147.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.43 106.86 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 mt -99.52 159.75 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.64 170.18 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.5 ttt -45.43 121.03 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.99 -28.92 8.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -66.4 161.39 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.0 p -129.81 161.27 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -169.94 151.81 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.93 -104.12 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.45 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 7.6 pt -113.13 -178.49 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.0 160.68 26.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.5 Cg_endo -69.78 2.27 3.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.1 p -97.23 148.98 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 18.3 mt -58.46 -19.17 34.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.26 149.59 32.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.29 168.39 10.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -152.69 161.69 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 99' ' ' HIS . 17.2 m-85 -125.17 134.86 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.429 ' HE1' ' CG2' ' A' ' 102' ' ' VAL . 10.6 tpt -61.31 136.35 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 43.2 m-70 -115.9 34.99 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.23 -166.78 35.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.4 mt -126.59 122.6 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.429 ' CG2' ' HE1' ' A' ' 98' ' ' MET . 16.5 t -93.11 134.88 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -149.34 132.18 16.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 74.6 p -63.11 160.06 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -109.33 -21.72 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.08 177.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -93.32 175.46 6.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 54.53 41.56 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 5.6 m -87.75 128.09 35.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -99.94 145.21 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -146.85 168.74 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 2.2 p -140.86 140.07 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 6.3 m -114.62 123.49 49.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.62 130.7 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.73 136.99 57.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 119' ' ' TYR . 20.3 tt0 -50.03 -61.35 2.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -44.22 -51.06 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.35 -24.01 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.8 t80 -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 34.7 t90 -110.55 0.28 17.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -105.51 -12.08 16.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 89.5 mt -100.89 -53.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -58.68 5.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.487 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 12.2 m-80 -54.99 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.5 m170 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.728 0.299 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.75 -49.57 77.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.12 -23.66 62.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -86.94 -39.79 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.78 -52.49 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.4 -34.33 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.437 ' CZ ' HD12 ' A' ' 21' ' ' LEU . 3.1 t80 -70.08 -54.75 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.54 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.8 mtp -50.94 -35.23 32.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.495 ' CD2' HH12 ' A' ' 32' ' ' ARG . 12.2 t-80 -58.17 -30.81 66.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -73.12 -48.18 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.437 HD12 ' CZ ' ' A' ' 17' ' ' PHE . 24.5 mt -62.48 140.35 96.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -38.35 7.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.36 -26.44 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 38.8 m-85 -103.27 -26.77 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.67 -50.3 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.407 ' ND2' ' HG3' ' A' ' 27' ' ' MET . 15.7 p-10 -41.16 -50.27 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.407 ' HG3' ' ND2' ' A' ' 26' ' ' ASN . 17.7 mtt -73.34 167.16 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -96.66 175.84 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.4 OUTLIER -51.25 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' MET . 1.4 t -37.78 -64.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -43.49 -52.83 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.495 HH12 ' CD2' ' A' ' 19' ' ' HIS . 85.7 mtt180 -53.53 -55.54 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -50.6 59.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -56.09 -41.38 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.94 -46.54 84.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.92 -20.72 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -17.89 26.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.2 m -120.97 18.0 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.437 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 2.8 ptp -111.36 145.26 39.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 mt -100.17 147.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -103.57 115.36 30.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -125.71 148.3 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -138.73 113.78 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.46 123.23 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -93.63 -44.75 8.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.7 114.53 21.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.85 170.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.43 9.36 11.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.48 141.01 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -80.54 121.34 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -90.81 -40.27 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 78.1 mt -144.13 150.14 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -111.55 143.78 41.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 15.3 p-10 -60.44 126.37 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.41 25.97 41.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -106.05 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -39.53 106.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 11.5 mt -74.73 107.61 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -124.33 37.59 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.49 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 69.2 p -173.16 129.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TRP . . . . . 0.457 ' CZ2' HG23 ' A' ' 63' ' ' VAL . 25.6 t90 -79.45 143.11 35.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.497 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 48.2 m-85 -122.05 149.81 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 24' ' ' PHE . 63.8 t -142.66 126.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.35 105.22 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.67 -42.63 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -152.05 148.96 28.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.87 -173.02 36.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.6 m -128.78 137.93 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.8 m -121.61 151.83 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -124.39 136.93 54.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.429 ' CD1' HD12 ' A' ' 81' ' ' LEU . 88.0 mt -110.51 137.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -114.34 121.25 43.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -96.48 147.44 32.95 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.631 0.729 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.23 34.95 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.741 2.294 . . . . 0.0 112.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.39 29.84 0.89 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -122.52 149.33 44.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.4 t -130.06 109.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -81.98 146.72 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -123.41 110.2 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 71' ' ' ILE . 16.0 mt -107.3 153.68 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -134.52 170.84 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.9 ttt -42.8 118.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.83 -31.06 5.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -72.44 162.59 29.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -134.18 146.26 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.5 p90 -151.77 156.5 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.72 -132.77 6.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 23.9 pt -88.47 -175.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.01 160.52 33.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.586 0.708 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . 0.545 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.75 2.42 3.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 94' ' ' ASP . 30.1 p -103.69 135.47 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.52 HD22 ' CE3' ' A' ' 120' ' ' TRP . 15.3 mt -41.63 -26.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.1 m-20 -47.58 132.41 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -92.58 146.93 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -136.64 163.52 30.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.86 140.2 52.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . 0.438 ' HE1' ' CG2' ' A' ' 102' ' ' VAL . 7.0 tpt -59.16 130.35 46.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -106.95 28.35 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -174.77 -156.65 14.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.81 120.18 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG2' ' HE1' ' A' ' 98' ' ' MET . 9.7 t -90.77 136.87 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -150.19 131.08 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.2 p -65.34 159.85 23.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -111.14 -24.11 10.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.17 -176.62 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.22 173.86 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.19 25.51 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.1 m -72.74 130.89 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -103.21 136.42 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 82.5 m-85 -141.28 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 113' ' ' CYS . 7.7 p -141.98 140.33 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -113.49 140.2 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.7 mt -138.6 125.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.21 158.03 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.11 -54.5 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -48.49 -42.53 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -75.92 -26.23 56.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.8 t80 -80.05 -8.94 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TRP . . . . . 0.52 ' CE3' HD22 ' A' ' 93' ' ' LEU . 32.8 t90 -114.33 -10.55 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -98.2 -21.92 16.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.2 mt -87.61 -54.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.54 -70.95 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -52.04 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -96.33 97.13 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.825 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -146.71 138.57 24.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.21 99.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -169.95 154.34 5.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 m -63.78 160.84 16.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.8 -65.23 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -41.38 -45.12 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -121.01 81.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.41 -52.56 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -47.98 -43.69 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -50.1 -56.5 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -50.88 -37.99 46.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.62 -36.35 62.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.3 mt -55.84 -50.54 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.72 -40.26 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -71.8 -38.17 70.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.535 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 30.3 mmm -54.88 -42.63 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.41 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 22.9 t60 -61.84 -38.56 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -51.78 -42.26 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 17.6 mt -79.8 142.6 56.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -46.1 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.723 2.282 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.44 64.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.535 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 13.1 m-85 -86.64 -9.69 55.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.46 -29.34 16.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.75 -28.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.18 149.32 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.462 HG23 ' CG2' ' A' ' 31' ' ' VAL . 6.8 t -50.63 169.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' ARG . 5.4 tpp -62.38 -55.72 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 m -37.95 -49.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.462 ' CG2' HG23 ' A' ' 28' ' ' THR . 57.9 t -57.72 -39.46 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' MET . 52.4 mtt180 -61.04 -55.0 37.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 34' ' ' GLU . 0.5 OUTLIER -55.48 -41.81 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.467 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 24.7 mt-10 -62.14 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.08 -41.34 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.29 -17.94 23.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 m -95.63 -9.96 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 m -127.27 16.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.463 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 5.8 ptp -112.6 137.64 50.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.3 mt -84.53 158.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.7 m-85 -108.76 116.84 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -142.14 142.41 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -146.97 117.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -76.74 128.06 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -93.78 -42.04 9.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -87.5 103.74 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB3' ' N ' ' A' ' 107' ' ' ASP . . . -50.05 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.06 30.03 22.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.9 144.44 25.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.069 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.51 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -79.84 125.47 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mm -93.8 -39.91 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.9 mt -148.32 143.42 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 1.8 mp0 -103.42 160.21 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -74.87 128.31 35.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 30.59 14.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -109.71 126.91 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.34 95.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.423 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 12.3 mt -67.21 115.28 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -122.22 -5.39 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.4 m -125.63 147.9 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -93.85 132.53 38.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 20.2 m-85 -112.63 142.67 44.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 86.2 t -138.05 124.88 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' CD1' HG21 ' A' ' 69' ' ' VAL . 15.6 mt -69.33 106.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.39 -37.92 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -154.4 149.11 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.13 175.49 50.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.9 m -112.94 144.9 41.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG21 ' CD1' ' A' ' 64' ' ' ILE . 19.8 m -126.66 132.84 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -105.55 136.54 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.7 mt -113.0 139.68 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -120.72 140.66 51.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.39 151.9 44.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.4 29.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' GLY . 2.6 p30 -73.61 -37.44 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . 132.52 27.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -117.57 144.63 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.86 111.08 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.42 158.79 23.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.15 107.85 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.7 mt -106.33 153.78 21.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' MET . 37.3 m-85 -132.62 163.56 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' PHE . 12.6 ttt -35.32 120.49 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.57 -36.61 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.67 165.09 6.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.5 p -132.63 153.36 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 27.8 p90 -161.76 157.32 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.94 -95.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 9.0 pt -134.21 168.27 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.33 159.52 33.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.83 2.92 3.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.3 p -100.03 136.38 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.515 HD23 ' CE3' ' A' ' 120' ' ' TRP . 94.8 mt -40.69 -32.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -51.06 124.91 12.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.66 172.99 11.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.7 162.32 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -121.0 134.49 55.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 tpt -60.25 129.39 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.52 39.2 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.34 -178.01 45.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 77.2 mt -116.7 125.78 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.1 t -97.99 141.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -150.91 130.85 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 74.1 p -60.15 155.49 17.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -104.54 -26.57 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.2 m -133.7 170.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -85.44 175.39 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 54.21 43.25 30.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.468 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 7.3 m -88.28 124.17 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -98.58 149.71 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.468 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 70.7 m-85 -153.52 174.07 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.463 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 6.4 p -145.78 137.72 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -114.41 125.69 54.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 71.4 mt -125.41 128.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.98 147.01 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.34 -58.38 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -41.72 -60.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 -25.44 66.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.1 t80 -77.31 -19.01 57.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.99 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.526 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 48.0 t90 -109.43 1.62 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -103.81 -11.53 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.417 ' CG2' HG13 ' A' ' 31' ' ' VAL . 71.2 mt -103.37 -63.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.3 mp -55.12 -44.74 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -81.24 -175.94 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -111.49 65.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 127' ' ' GLU . 76.1 t -82.98 157.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.419 ' N ' ' CG1' ' A' ' 126' ' ' VAL . 27.7 mt-10 -36.35 -57.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -80.72 111.22 16.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 26.6 m -59.11 -56.6 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.25 168.09 12.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.515 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.78 52.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.32 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.8 m -87.28 104.18 16.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 77.4 p -125.01 90.13 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -144.55 177.26 8.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.909 0.385 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -40.1 -61.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.98 -158.68 18.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -76.91 170.49 16.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -112.61 105.05 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.61 74.24 1.01 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.23 -53.9 47.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.1 51.7 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -53.99 -49.95 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -52.39 -51.31 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -52.95 -30.55 35.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -77.26 -24.32 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 17' ' ' PHE . 3.9 mt -84.61 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 33' ' ' ARG . 64.1 mt -34.22 -58.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -45.11 -42.3 8.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.507 ' CZ ' ' CD1' ' A' ' 21' ' ' LEU . 2.7 t80 -74.24 -38.08 63.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.51 ' HE1' ' CE1' ' A' ' 24' ' ' PHE . 35.0 mtp -71.82 -11.97 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -84.9 -15.4 44.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -100.11 -2.41 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.507 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 40.1 mt -102.69 143.04 25.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -43.5 2.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.43 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CE1' ' HE1' ' A' ' 18' ' ' MET . 9.2 m-85 -101.73 -22.19 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.99 -32.15 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -46.45 -50.85 16.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.48 165.94 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.427 HG21 ' CG2' ' A' ' 31' ' ' VAL . 0.0 OUTLIER -74.27 157.25 36.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -46.82 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.4 p -45.16 -34.59 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 28' ' ' THR . 89.4 t -69.78 -38.47 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -56.13 -67.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' N ' HD22 ' A' ' 15' ' ' LEU . 1.5 tmt_? -46.15 -40.39 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.42 -44.86 86.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' C ' ' N ' ' A' ' 37' ' ' SER . 14.1 mt -53.0 -51.99 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.1 t -44.9 -21.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' LEU . 4.9 t -69.61 -40.06 76.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.5 m -117.05 24.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' ' CD1' ' A' ' 114' ' ' ILE . 4.0 mmm -88.06 127.35 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.7 mm -86.32 160.96 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.3 m-85 -124.31 110.71 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -137.47 142.22 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.4 t -140.72 125.99 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -95.8 123.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -92.56 -38.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -81.41 115.55 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 172.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 54.65 22.35 24.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.75 139.39 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.069 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.507 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.7 mp -80.06 113.51 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mm -77.87 -41.56 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 32.5 mt -148.93 158.86 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -111.86 169.48 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -82.7 138.8 33.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.52 65.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -125.84 122.29 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -56.73 104.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.3 mt -79.69 121.41 25.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.49 23.59 8.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.592 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 45.1 p -157.81 118.31 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.451 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 26.2 t90 -71.79 133.06 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 60' ' ' SER . 44.4 m-85 -110.78 143.18 41.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.451 HG21 ' CZ2' ' A' ' 61' ' ' TRP . 64.2 t -135.36 127.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.09 107.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.57 -33.04 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.4 147.84 19.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.86 -178.72 51.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 69' ' ' VAL . 54.1 m -119.55 136.24 54.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.457 ' N ' HG22 ' A' ' 68' ' ' THR . 29.3 m -118.34 133.26 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -110.09 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.428 HD12 ' CD1' ' A' ' 81' ' ' LEU . 45.4 mt -107.75 138.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -119.9 133.34 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -106.19 146.26 32.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.88 37.28 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -78.13 -44.0 27.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.19 36.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -132.1 150.98 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.3 t -135.71 109.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.56 139.47 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.69 115.84 25.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 71' ' ' ILE . 9.8 mt -106.74 159.23 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -139.52 171.03 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 20.0 ttt -39.3 119.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.0 -43.76 1.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -64.56 164.65 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -138.17 158.32 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 36.0 p90 -157.48 158.95 36.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.9 -105.65 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.3 pt -121.04 -179.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.153 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.42 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -107.92 159.43 30.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.553 0.692 . . . . 0.0 111.174 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 2.81 3.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' ASP . 77.5 p -91.95 133.15 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.424 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 47.1 mt -43.05 -23.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 1.2 m-20 -52.7 171.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -126.59 141.11 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' A' ' 90' ' ' THR . 0.5 OUTLIER -127.36 157.2 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -121.86 125.46 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -44.79 134.65 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -110.96 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.87 -158.44 15.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.75 124.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.2 t -95.68 135.29 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -146.01 131.28 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 34.1 p -65.32 152.69 43.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -100.78 -24.93 14.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.7 m -134.61 178.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.01 167.84 10.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.3 t0 67.21 33.48 5.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 8.6 m -79.7 139.17 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -112.26 131.94 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 109' ' ' CYS . 51.9 m-85 -138.75 154.7 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 7.3 p -126.26 141.51 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.411 ' C ' HG13 ' A' ' 114' ' ' ILE . 94.3 m -116.22 150.13 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.462 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 63.3 mt -146.11 125.41 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.97 137.99 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' TYR . 37.2 tt0 -49.94 -64.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -40.22 -58.27 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -61.25 -26.81 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.4 t80 -75.35 -26.99 59.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 64.3 t90 -101.44 6.61 42.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -100.37 -22.26 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 55.2 mt -96.56 -71.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -44.2 -43.71 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.87 -175.06 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -120.67 49.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.64 -13.85 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -130.34 157.92 41.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -123.42 40.37 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.1 m -166.95 168.68 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.25 144.93 15.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 88.8 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.368 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.9 m -57.46 140.59 50.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.6 p -136.51 142.51 43.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -130.64 153.23 49.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -108.15 143.6 36.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.09 -145.34 37.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -148.9 129.56 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -77.55 88.23 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.13 -156.82 7.34 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -131.25 -54.96 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.06 43.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -48.81 -44.02 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.03 -38.13 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -64.17 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.38 -23.01 35.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.2 tp -86.41 -52.0 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -43.92 -58.18 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -40.59 -35.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CZ ' HD13 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -80.5 -41.8 23.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.517 ' HG2' ' CG ' ' A' ' 24' ' ' PHE . 21.9 mtp -65.96 -12.45 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -82.71 -42.41 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' PHE . 9.0 pt20 -66.64 -25.42 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.531 HD13 ' CZ ' ' A' ' 17' ' ' PHE . 7.5 mt -79.72 141.05 55.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -50.95 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.91 -38.3 67.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.517 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 23.6 m-85 -82.6 -28.71 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.78 -30.87 61.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -41.0 -38.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.62 -176.83 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.2 t -89.76 -178.68 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.1 mtp -74.27 -15.21 60.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.3 t -74.62 -28.94 61.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 77.6 t -82.23 -40.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -45.07 -46.75 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -57.67 -43.21 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.8 mt -62.13 -49.64 75.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 32.5 t -48.01 -20.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -72.46 -36.43 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -116.54 25.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.51 ' HE1' ' CE1' ' A' ' 24' ' ' PHE . 10.6 mtt -88.86 134.8 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.1 mt -103.14 134.06 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -96.4 120.54 36.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -141.07 143.53 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -133.46 134.49 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.65 123.96 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -94.87 -44.41 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -74.62 100.36 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.0 164.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.15 20.14 53.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.5 149.17 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.11 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.541 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -85.44 119.93 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mm -84.81 -41.77 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 45.9 mt -146.16 158.5 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -117.13 150.11 39.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.72 121.85 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 16.49 43.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -94.65 114.41 26.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.05 92.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.401 ' CB ' HG23 ' A' ' 89' ' ' ILE . 16.9 mt -62.44 128.73 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -133.51 12.07 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 m -149.02 139.55 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.651 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 25.1 t90 -85.33 134.73 34.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -118.02 137.41 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.49 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 60.4 t -133.22 125.62 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' CD1' HG21 ' A' ' 69' ' ' VAL . 20.0 mt -66.55 117.69 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.6 mt -98.22 -35.88 10.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -156.51 143.82 19.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.73 -173.05 30.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.6 m -128.95 134.7 48.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.407 HG21 ' CD1' ' A' ' 64' ' ' ILE . 16.2 m -120.62 140.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -111.67 147.48 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.457 HG22 ' N ' ' A' ' 72' ' ' SER . 45.7 mt -126.0 143.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.457 ' N ' HG22 ' A' ' 71' ' ' ILE . 3.3 m -128.98 134.36 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . 0.419 ' CD2' ' HE2' ' A' ' 77' ' ' LYS . 93.3 m-70 -100.99 148.44 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.89 33.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.34 -44.71 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.21 41.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.419 ' HE2' ' CD2' ' A' ' 73' ' ' HIS . 24.7 ttpt -133.42 159.79 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.891 0.377 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 58.5 t -144.24 117.11 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -91.56 154.72 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.83 109.26 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.445 ' CD1' HD11 ' A' ' 71' ' ' ILE . 6.5 mt -103.76 158.19 16.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 83' ' ' MET . 63.2 m-85 -140.37 164.74 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.5 ttt -37.68 118.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.31 -33.14 5.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -61.41 -179.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.8 p -152.08 148.36 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -158.63 148.63 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.07 -115.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.401 HG23 ' CB ' ' A' ' 58' ' ' LEU . 8.4 pt -109.91 -175.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.22 158.96 33.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 2.65 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 146.5 23.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.514 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 9.7 mt -52.0 -24.73 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.59 136.13 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -138.22 144.33 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.78 141.82 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.06 147.32 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 15.01 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.46 -158.35 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.0 mt -131.84 127.6 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.01 135.07 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -146.75 130.82 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 p -61.01 163.2 6.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -111.61 -25.02 9.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 m -134.68 -176.33 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.84 -178.73 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.05 30.19 9.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.7 m -79.17 117.32 20.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -95.03 141.97 28.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.6 m-85 -143.47 160.18 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 8.5 p -126.49 145.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.423 ' C ' HG13 ' A' ' 114' ' ' ILE . 1.8 t -119.36 143.75 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.423 HG13 ' C ' ' A' ' 113' ' ' CYS . 56.2 mt -145.91 120.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.26 154.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.41 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.41 -59.75 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -55.69 -31.62 62.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.651 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 6.4 t80 -75.97 -15.98 60.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.587 ' CD1' ' OD1' ' A' ' 124' ' ' ASN . 43.8 t90 -110.27 1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -105.19 4.76 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.429 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 29.1 mt -122.68 -54.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.26 -31.69 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.587 ' OD1' ' CD1' ' A' ' 120' ' ' TRP . 3.4 m-80 -75.9 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -100.86 31.98 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 127' ' ' GLU . 4.4 p -77.12 155.54 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 126' ' ' VAL . 8.8 tp10 -34.9 140.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -32.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.3 m -38.99 99.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -115.18 -100.55 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -26.21 27.92 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.739 2.293 . . . . 0.0 112.321 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.6 p -87.74 171.44 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.1 m -102.95 132.01 49.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -113.72 134.66 54.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -117.2 134.34 54.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.74 57.44 0.49 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m -145.85 130.13 17.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.7 p -50.22 135.69 20.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.58 78.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.88 -44.42 32.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -111.06 36.09 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -48.4 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 14' ' ' LEU . 48.3 mt -61.02 -62.76 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -38.19 -56.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -52.25 -40.29 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' ILE . 32.4 tp -69.02 -44.1 73.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 33' ' ' ARG . 84.1 mt -50.32 -45.23 54.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.4 -47.91 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -60.14 -57.98 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.555 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 13.7 mtp -44.25 -40.28 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -52.78 -38.48 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.66 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 16.4 mt -65.64 138.94 96.89 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.553 0.692 . . . . 0.0 110.929 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.0 4.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.9 -20.02 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CE1' ' HE2' ' A' ' 18' ' ' MET . 4.5 m-85 -99.64 -36.56 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.88 -30.67 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -41.57 -35.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.89 164.09 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 t -79.73 156.49 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' SER . 4.1 mmt -38.03 -54.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' MET . 53.0 m -35.66 -64.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.45 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 54.2 t -46.71 -54.09 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' LEU . 73.1 mtt180 -48.16 -72.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.2 tmt_? -38.38 -47.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.55 -43.48 84.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' ARG . 12.1 mt -61.6 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.63 -18.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -71.63 -33.2 68.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.4 m -120.9 24.16 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.084 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.432 ' HE1' ' CE ' ' A' ' 18' ' ' MET . 5.1 mtt -82.6 127.91 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 41' ' ' PHE . 87.7 mt -93.65 146.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' N ' HG23 ' A' ' 40' ' ' ILE . 57.9 m-85 -105.14 122.28 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -139.44 149.94 44.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.0 t -149.27 126.81 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.29 124.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.4 -43.72 10.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -87.28 120.34 28.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 173.19 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.39 11.36 20.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 140.38 45.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.543 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -77.51 129.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mm -96.41 -38.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.4 mt -151.27 128.42 11.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.96 153.43 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.95 135.02 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.86 31.78 38.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.41 113.16 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.59 101.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HB2' ' CG2' ' A' ' 89' ' ' ILE . 3.8 mt -75.14 130.67 39.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 14.21 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.7 m -147.6 139.56 24.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.481 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 26.1 t90 -85.62 137.27 32.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 28.5 m-85 -113.73 149.72 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 94.3 t -147.84 116.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 17.4 mt -57.19 116.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.0 mt -97.19 -28.37 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -166.14 144.95 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.76 -158.29 23.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.422 HG22 ' N ' ' A' ' 69' ' ' VAL . 88.1 m -141.45 140.35 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' N ' HG22 ' A' ' 68' ' ' THR . 19.4 m -123.07 131.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -104.23 131.4 51.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.435 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 62.6 mt -108.24 143.39 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 71' ' ' ILE . 3.8 t -129.64 140.66 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -113.21 149.88 42.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.37 34.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.84 -41.71 20.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.73 32.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -125.49 148.79 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 71' ' ' ILE . 38.3 t -136.88 107.01 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.3 165.19 24.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -138.74 115.18 10.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.8 mt -113.23 154.29 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -137.53 171.34 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.1 ttt -42.71 114.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 123.04 -35.2 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -61.29 174.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.3 p -144.7 138.18 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -146.44 162.68 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.92 -118.2 2.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.467 ' CG2' ' HB2' ' A' ' 58' ' ' LEU . 9.9 pt -113.11 172.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -93.36 156.86 39.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.512 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.1 Cg_endo -69.75 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.355 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.7 p -98.22 135.34 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 35.8 mt -40.14 -34.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.502 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 34.5 m-20 -46.19 146.92 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -103.45 156.25 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 2.7 mp0 -138.29 173.15 11.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -130.58 131.49 45.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.4 tpt -49.31 104.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -82.35 40.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.11 38.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.1 mt -125.04 133.2 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.3 t -107.87 136.25 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -142.49 130.96 22.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 p -57.77 161.38 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.15 -26.18 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.51 176.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -94.51 173.54 7.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.34 28.4 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 17.7 m -76.82 131.26 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.2 140.67 37.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.439 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.8 m-85 -146.27 155.99 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 113' ' ' CYS . 13.4 p -125.71 149.82 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.501 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 3.3 m -128.44 137.56 51.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 42.4 mt -135.39 120.12 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.6 147.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -59.03 -57.53 12.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -46.12 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -54.74 -35.83 64.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.512 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 14.2 t80 -68.83 -19.7 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.564 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 21.3 t90 -110.52 0.42 17.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -103.06 1.54 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.45 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 57.0 mt -115.86 -56.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.15 -49.22 72.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.564 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 11.7 m-80 -63.66 177.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -110.59 56.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 127' ' ' GLU . 6.4 p -91.42 137.17 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 126' ' ' VAL . 16.9 pt-20 -84.96 152.45 23.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp 61.62 48.83 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.6 m -156.07 152.49 28.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.82 145.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 141.18 44.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -109.9 152.76 25.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.8 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.2 t -113.74 103.24 11.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 m -71.68 91.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -63.59 158.47 21.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 -146.01 6.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -61.78 141.25 58.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -138.74 122.97 18.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.21 -153.75 20.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -127.88 -50.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -114.02 74.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.02 -50.79 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.26 -54.35 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.41 -40.34 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -73.64 -38.18 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.2 mt -67.48 -62.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' HB3' ' CE ' ' A' ' 29' ' ' MET . 70.2 mt -34.36 -61.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' LEU . 8.4 t80 -65.14 -61.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 16.2 mtp -41.25 -30.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.45 ' CG ' HH12 ' A' ' 32' ' ' ARG . 18.5 t-80 -63.88 -43.52 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -58.12 -42.22 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 mt -72.63 138.91 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -46.3 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -35.29 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 7.0 m-85 -84.43 -20.21 32.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.82 -28.26 40.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -47.43 -40.92 19.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.96 -177.25 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' MET . 6.0 t -94.69 145.37 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 15' ' ' LEU . 11.2 tpt -36.73 -43.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -53.33 -57.78 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.8 t -48.35 -41.73 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.45 HH12 ' CG ' ' A' ' 19' ' ' HIS . 84.0 mtt180 -48.6 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -39.9 -53.26 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -47.61 -40.19 18.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.8 mt -67.9 -47.14 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -49.5 -26.33 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -74.73 -32.96 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.64 17.13 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.404 ' CE ' ' HE3' ' A' ' 18' ' ' MET . 9.0 mtt -81.38 129.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 41' ' ' PHE . 51.0 mt -94.56 143.74 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' N ' HG22 ' A' ' 40' ' ' ILE . 45.8 m-85 -99.26 120.36 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -142.07 137.43 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -139.26 137.15 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.6 t -102.81 123.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.87 -42.17 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.32 125.39 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 170.38 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.45 12.54 26.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.11 138.38 57.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.301 . . . . 0.0 111.161 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.545 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -78.37 119.21 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.469 ' N ' HD13 ' A' ' 51' ' ' ILE . 1.9 mm -84.85 -42.14 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.7 mt -148.16 128.09 13.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.49 146.66 23.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 8.9 p-10 -59.0 106.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.42 23.35 6.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' LEU . 63.4 tt0 -99.26 105.82 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -44.46 95.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 56' ' ' GLN . 3.3 mt -68.65 119.78 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.66 -5.21 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 m -127.89 143.31 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -87.17 125.43 34.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.61 134.93 49.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.37 127.28 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.416 ' CD1' HG21 ' A' ' 69' ' ' VAL . 32.0 mt -62.92 112.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.1 mt -89.52 -43.83 10.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -154.09 130.09 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.43 -166.79 12.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.3 m -128.83 148.24 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 HG21 ' CD1' ' A' ' 64' ' ' ILE . 23.5 m -132.09 138.04 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.16 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -111.44 141.15 45.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 37.2 mt -115.77 134.29 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -120.65 140.5 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -110.81 151.21 42.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -16.76 37.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.69 -46.36 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 32.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -128.55 151.04 49.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.0 t -137.16 117.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -88.02 170.34 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.68 112.28 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.455 HD21 ' ND2' ' A' ' 85' ' ' ASN . 19.4 mt -111.77 153.13 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -133.0 170.97 14.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 21.1 ttt -41.48 113.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.48 -34.06 2.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.586 ' ND2' ' H ' ' A' ' 86' ' ' SER . 3.1 t30 -63.91 175.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.586 ' H ' ' ND2' ' A' ' 85' ' ' ASN . 85.5 p -147.41 145.14 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -162.14 149.66 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.407 ' C ' HG22 ' A' ' 89' ' ' ILE . . . 145.94 -87.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.407 HG22 ' C ' ' A' ' 88' ' ' GLY . 6.8 pt -140.67 164.67 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.416 ' HG1' ' NE2' ' A' ' 96' ' ' GLN . 59.9 p -86.67 151.84 53.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.137 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.559 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.77 2.77 3.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' ASP . 12.3 p -99.72 138.3 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.497 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 11.0 mt -36.97 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.1 m-20 -53.48 143.31 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 32.6 mtpt -94.29 -175.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.541 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -169.9 160.93 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' C ' HD13 ' A' ' 58' ' ' LEU . 3.9 m-85 -121.89 153.76 38.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.457 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -72.15 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.407 ' N ' ' SD ' ' A' ' 98' ' ' MET . 4.5 m-70 -95.83 46.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 166.75 -159.16 32.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -135.16 118.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.461 HG12 ' CG1' ' A' ' 51' ' ' ILE . 15.0 t -93.47 141.19 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -149.8 135.22 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 18.1 p -64.53 161.4 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -112.43 -13.37 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.48 -179.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.23 162.36 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t70 64.87 48.16 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.473 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.0 m -95.62 132.7 40.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -97.55 140.51 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 94.8 m-85 -144.02 162.15 36.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 113' ' ' CYS . 14.8 p -134.45 142.83 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.413 ' N ' HG21 ' A' ' 112' ' ' VAL . 55.6 m -123.89 129.57 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 53.2 mt -126.25 120.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.55 145.59 6.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -55.1 -65.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -38.06 -68.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -49.97 -32.97 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.559 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.6 t80 -71.1 -34.74 71.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 23.2 t90 -95.32 -0.69 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -99.3 -2.83 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 76.5 mt -111.54 -50.55 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -69.53 -25.02 63.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 120' ' ' TRP . 2.6 m-80 -91.9 -175.34 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -120.25 69.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 t -85.72 -8.5 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 44.81 52.36 8.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -121.99 34.07 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.9 m 58.82 54.09 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 56.79 -157.86 10.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 101.14 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.282 . . . . 0.0 112.349 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.7 m -126.23 112.73 16.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.7 t -126.82 84.74 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -87.44 122.42 31.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -67.23 -45.99 75.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.45 -80.57 1.39 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -92.87 90.64 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.842 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -77.67 119.97 21.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.37 -155.56 1.06 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -89.77 -48.76 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -128.42 86.51 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.26 -58.31 9.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -46.25 -45.59 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.29 -41.5 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -18.01 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 7.6 tp -93.72 -40.72 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.2 mt -60.21 -55.3 35.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -42.35 -36.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.457 ' CZ ' HD12 ' A' ' 21' ' ' LEU . 3.5 t80 -69.83 -52.12 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.457 ' CE ' ' HB3' ' A' ' 32' ' ' ARG . 53.5 mtp -51.88 -28.54 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.2 -29.2 68.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -69.54 -45.57 68.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 HD12 ' CZ ' ' A' ' 17' ' ' PHE . 35.5 mt -70.89 140.27 86.1 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 -39.28 6.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -21.04 63.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.557 ' CZ ' ' HE3' ' A' ' 39' ' ' MET . 9.2 m-85 -102.42 -40.13 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.65 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -49.03 -33.59 11.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.18 166.9 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -74.73 178.73 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.189 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 6.5 tpp -64.0 -54.29 36.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -38.53 -59.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 t -50.14 -45.09 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.457 ' HB3' ' CE ' ' A' ' 18' ' ' MET . 71.8 mtt180 -57.77 -63.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -51.6 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' OE2' ' CG ' ' A' ' 131' ' ' PRO . 0.2 OUTLIER -54.26 -49.87 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.2 mt -51.02 -49.73 59.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 9.3 t -47.19 -24.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -68.38 -39.33 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.1 m -110.92 23.47 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.557 ' HE3' ' CZ ' ' A' ' 24' ' ' PHE . 9.6 mtt -87.55 121.16 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.437 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.9 mm -89.64 148.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -108.87 109.8 20.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -140.89 137.71 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.83 140.43 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.3 t -97.31 122.63 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.42 -39.2 19.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -90.21 119.09 30.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.11 170.28 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.32 49.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.31 144.9 39.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -82.49 123.44 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -92.32 -40.35 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.2 mt -146.3 151.9 38.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -111.31 143.86 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 2.8 p-10 -64.18 110.03 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.29 7.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -104.11 119.39 38.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.74 100.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.441 ' CB ' HG22 ' A' ' 89' ' ' ILE . 3.9 mt -72.49 123.33 22.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -132.54 20.11 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -153.3 134.47 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.531 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 23.7 t90 -81.08 134.06 35.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.442 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 36.1 m-85 -112.66 143.52 43.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.457 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 87.7 t -140.21 118.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -58.31 113.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -89.25 -42.58 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -155.53 133.81 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.3 -178.93 24.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 94.4 m -120.43 133.02 55.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.9 m -113.81 139.07 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.93 136.77 52.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.0 mt -115.26 142.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.7 m -128.63 136.42 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -106.99 152.03 40.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.11 37.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.95 -46.81 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.58 32.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.459 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -125.16 150.8 46.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 61.8 t -135.99 110.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -87.71 142.04 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.64 115.42 23.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.1 mt -109.8 155.95 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.46 167.5 20.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.9 ttt -41.72 118.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.34 -32.11 5.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -66.76 167.43 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -133.51 149.41 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 5.9 p90 -162.41 154.65 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 138.19 -102.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.441 HG22 ' CB ' ' A' ' 58' ' ' LEU . 7.3 pt -127.97 177.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.8 p -95.69 152.37 39.08 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.556 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.1 Cg_endo -69.76 2.4 3.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 48.9 p -96.08 152.03 18.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.484 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 8.5 mt -51.44 -21.83 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.447 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 6.1 t70 -58.74 162.81 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -116.93 -175.66 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.3 159.96 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.96 147.0 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.78 120.85 13.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.82 40.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 167.85 -163.0 36.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.75 129.52 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.78 142.47 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -151.99 130.87 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 67.7 p -59.6 156.2 13.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -103.54 -25.37 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.04 177.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 178.69 6.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 50.75 45.63 26.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.515 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.8 m -94.76 119.34 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -95.07 143.06 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 90.0 m-85 -144.12 151.85 40.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 10.6 p -121.06 147.19 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.42 ' C ' HG13 ' A' ' 114' ' ' ILE . 98.6 m -124.23 149.38 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.42 HG13 ' C ' ' A' ' 113' ' ' CYS . 62.3 mt -146.42 124.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.49 145.86 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -65.21 -64.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -41.6 -34.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.462 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 20.1 m-20 -87.84 -28.6 21.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.556 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 16.7 t80 -74.16 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.536 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 23.8 t90 -109.52 -11.23 14.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.482 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 2.9 ptp180 -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.76 -62.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.77 -64.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.536 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.1 m-80 -54.34 -175.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -120.11 47.68 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.482 ' CG1' ' HA ' ' A' ' 121' ' ' ARG . 2.4 p -85.52 108.07 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -69.86 71.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -114.84 -52.03 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 m -173.24 -179.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.76 -172.63 27.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.448 ' CG ' ' OE2' ' A' ' 34' ' ' GLU . 53.1 Cg_endo -69.78 87.09 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.7 m -68.83 101.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.8 m -156.37 122.24 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.496 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -60.53 117.31 5.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -67.98 92.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.98 145.76 40.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -97.15 97.52 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.818 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -76.47 173.49 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.795 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.83 -69.29 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -59.92 -59.76 4.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.12 82.87 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -63.71 -60.17 3.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 mm -42.27 -45.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -65.85 -39.42 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -33.53 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 tp -73.95 -42.44 60.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.7 mt -59.58 -64.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 5.5 pt-20 -36.09 -37.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.432 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 3.1 t80 -73.33 -55.32 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.5 mtp -46.23 -44.61 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -54.27 -34.01 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -63.46 -48.2 78.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.4 mt -67.75 143.05 96.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -42.89 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.27 -36.43 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.08 -40.03 11.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.54 -33.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -54.19 -48.71 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 167.97 13.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 29' ' ' MET . 8.4 t -92.41 149.98 21.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -34.2 -60.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.7 m -41.25 -64.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.417 ' O ' ' C ' ' A' ' 32' ' ' ARG . 42.8 t -40.83 -58.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' VAL . 54.8 mtt180 -36.96 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.58 -54.46 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.439 ' CB ' HG23 ' A' ' 122' ' ' ILE . 0.2 OUTLIER -49.23 -51.13 35.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.2 mt -50.67 -50.15 55.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 50.8 t -50.35 -28.23 7.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.8 t -68.11 -30.08 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.9 m -120.84 25.26 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.5 mtt -89.55 153.84 20.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CD1' ' HB2' ' A' ' 113' ' ' CYS . 62.8 mt -114.61 145.55 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.08 115.98 31.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -137.85 139.07 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.4 t -137.69 125.44 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.4 t -91.2 123.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -94.72 -44.05 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -83.3 104.8 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.13 166.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.31 18.41 58.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.68 140.85 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.103 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -75.96 122.17 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -86.47 -37.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.7 mt -153.76 146.7 24.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -99.86 149.36 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 1.2 p-10 -70.35 121.39 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.1 41.64 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -125.79 108.57 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.501 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 39.2 tt0 -38.49 109.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.3 mt -80.31 121.19 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -128.71 31.11 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.8 p -166.5 136.53 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 24.8 t90 -85.89 141.71 29.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.55 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.3 m-85 -119.13 142.45 47.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 95.4 t -137.67 129.31 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.431 ' CD1' HG21 ' A' ' 69' ' ' VAL . 42.7 mt -69.56 116.82 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 23.6 mt -98.84 -33.91 10.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -161.82 132.89 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.84 -178.0 25.73 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.4 HG23 ' N ' ' A' ' 69' ' ' VAL . 23.7 m -122.35 133.35 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.145 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 64' ' ' ILE . 29.0 m -109.39 146.73 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -117.25 136.65 52.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.6 mt -119.5 137.81 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -129.18 136.9 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -107.02 152.47 41.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.806 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.54 37.48 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -44.41 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.79 33.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -127.69 150.03 49.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -136.73 118.61 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.87 166.69 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.5 113.36 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.4 mt -110.08 156.53 20.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' MET . 55.3 m-85 -138.11 163.86 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 ttt -35.03 120.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.25 -43.0 1.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -52.49 179.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.2 p -151.79 148.21 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 42.5 p90 -153.36 157.3 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.76 -111.88 1.07 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.7 pt -117.0 -175.76 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.481 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -105.02 157.96 33.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.554 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ASP . 19.4 p -105.01 137.95 41.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.548 HD22 ' CE3' ' A' ' 120' ' ' TRP . 92.7 mt -36.42 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.497 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 77.5 m-20 -40.86 147.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -110.18 142.71 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 1.4 mp0 -134.11 150.56 51.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.501 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 3.1 m-85 -117.72 147.31 43.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.458 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 6.8 tpt -71.19 140.73 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -121.66 21.15 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -158.47 -161.92 11.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.408 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 95.9 mt -130.67 130.7 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.458 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 25.7 t -104.91 142.02 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' N ' HG11 ' A' ' 102' ' ' VAL . 8.2 mtp180 -153.47 132.87 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 p -64.61 151.45 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -100.01 -19.13 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.84 -178.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.1 163.73 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 63.77 47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.1 m -94.68 145.32 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -112.34 140.3 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -147.97 153.34 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 113' ' ' CYS . 14.5 p -123.52 144.53 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.463 ' N ' HG21 ' A' ' 112' ' ' VAL . 80.5 m -122.84 136.44 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 50.6 mt -133.99 125.38 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.35 142.23 32.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 92' ' ' THR . 2.6 tp60 -52.73 -66.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -38.74 -58.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -59.12 -38.67 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.554 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.4 t80 -63.7 -21.91 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.625 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 14.5 t90 -107.29 -0.24 22.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -97.58 -0.3 46.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.439 HG23 ' CB ' ' A' ' 34' ' ' GLU . 60.8 mt -116.96 -62.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.37 -39.09 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.625 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.6 m-80 -72.82 175.55 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -109.28 40.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.3 135.23 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.15 -52.04 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -50.24 178.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.0 m -123.36 156.9 34.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.09 -85.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.22 50.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.325 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.3 m 56.03 32.33 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.8 p -54.13 131.05 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -72.9 -53.06 12.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -112.06 -52.46 2.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.94 131.45 7.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m -117.58 114.29 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -169.47 129.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.5 -160.97 34.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.64 -21.73 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -125.37 55.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 12.3 p-10 -65.88 -47.12 75.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 mt -63.54 -53.91 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.73 -60.03 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.97 -37.64 53.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.62 -45.93 77.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.5 mt -50.31 -53.32 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -38.76 -45.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CE1' HD11 ' A' ' 21' ' ' LEU . 3.8 t80 -67.11 -44.91 78.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' PHE . 19.1 mmm -53.49 -14.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -86.21 -39.53 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.97 -7.27 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD11 ' CE1' ' A' ' 17' ' ' PHE . 30.3 mt -104.15 138.21 19.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.67 0.748 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.57 3.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.532 ' CE2' HG13 ' A' ' 63' ' ' VAL . 13.8 m-85 -95.53 -30.95 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.18 -39.29 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -38.43 -43.96 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.79 157.32 16.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 29' ' ' MET . 1.6 t -51.91 175.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' ' 29' ' ' MET . 2.3 ppp? -79.36 -16.81 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -68.47 -43.79 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 t -61.05 -23.0 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' ARG . 86.3 mtt180 -69.15 -67.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 32' ' ' ARG . 57.3 mtm180 -38.24 -53.85 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.64 -50.84 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' MET . 38.6 mt -56.84 -48.44 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 m -49.94 -21.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t -92.54 -25.5 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -109.42 8.57 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.471 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 0.8 OUTLIER -107.57 130.22 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.72 137.75 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.33 122.22 33.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -143.29 155.79 44.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.6 p -153.64 131.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.9 t -91.52 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.79 -40.88 15.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -86.0 120.7 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.404 ' HB3' ' C ' ' A' ' 106' ' ' VAL . . . -64.58 177.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.16 18.7 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.42 140.49 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.508 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.8 mp -78.56 124.72 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mm -93.56 -37.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.9 mt -151.55 152.66 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -113.64 159.79 19.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -72.03 125.22 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.82 29.12 12.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -110.35 119.51 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.02 94.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' CB ' HG21 ' A' ' 89' ' ' ILE . 8.7 mt -65.5 126.87 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.74 8.12 4.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.548 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 4.9 m -140.9 124.73 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.3 t90 -76.1 127.71 33.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 60' ' ' SER . 16.0 m-85 -105.31 146.15 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.532 HG13 ' CE2' ' A' ' 24' ' ' PHE . 70.4 t -138.01 126.62 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 37.6 mt -67.94 111.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 76.5 mt -94.41 -30.68 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -163.08 140.04 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.9 -173.29 30.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 69' ' ' VAL . 93.2 m -127.29 138.49 53.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.457 ' N ' HG23 ' A' ' 68' ' ' THR . 29.7 m -122.29 133.38 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -107.59 132.35 53.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.3 mt -109.32 129.65 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -111.7 143.31 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -116.02 144.32 32.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.44 37.06 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -74.92 -47.92 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.18 33.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -131.77 157.24 44.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 23.0 t -144.59 111.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.78 114.3 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -108.04 153.97 22.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -130.04 165.99 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.0 ttt -38.65 120.56 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 117.91 -40.94 2.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -59.98 160.68 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.7 p -127.59 160.22 32.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -170.26 159.48 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 134.77 -81.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.404 HG21 ' CB ' ' A' ' 58' ' ' LEU . 5.1 pt -142.35 -178.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.542 ' HG1' ' NE2' ' A' ' 96' ' ' GLN . 71.1 p -101.12 152.58 37.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.552 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.78 3.38 2.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.496 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 12.3 p -99.16 137.58 37.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.555 HD11 ' CZ2' ' A' ' 120' ' ' TRP . 39.9 mt -36.82 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.0 t70 -52.24 163.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 21.6 mttt -113.95 162.41 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.542 ' NE2' ' HG1' ' A' ' 90' ' ' THR . 3.6 mp0 -136.16 147.79 47.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -112.68 133.65 54.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.5 tpt -65.41 124.25 21.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -109.93 38.43 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 179.07 -161.46 27.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.7 mt -130.42 127.33 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.62 132.58 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -146.76 130.93 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 49.0 p -61.17 162.67 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -108.59 -28.15 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.404 ' C ' ' HB3' ' A' ' 47' ' ' ALA . 7.7 m -137.45 178.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 176.01 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 60.21 26.8 16.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 33.0 m -78.4 128.06 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' ' 111' ' ' PHE . 39.4 mt-30 -103.21 155.27 18.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 110' ' ' GLN . 74.4 m-85 -156.94 166.73 32.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.471 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 3.5 p -138.78 142.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.42 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.7 m -115.13 143.63 44.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 76.9 mt -143.76 124.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.17 142.74 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 92' ' ' THR . 26.3 tp60 -52.53 -59.74 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -51.12 -56.02 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -23.01 52.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.552 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.8 t80 -82.4 -28.77 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.603 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 25.5 t90 -100.39 1.11 41.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -97.1 -5.42 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 66.2 mt -112.32 -56.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 119' ' ' TYR . 4.5 mp -58.84 -32.85 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.603 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 5.4 m-80 -87.92 -174.99 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -107.55 56.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.552 HG23 ' CH2' ' A' ' 120' ' ' TRP . 78.0 t -86.34 126.62 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.83 106.2 3.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 129' ' ' SER . 20.7 ttpt -171.62 149.95 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 128' ' ' LYS . 75.4 m -96.84 112.07 23.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -109.49 -78.4 1.03 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.35 27.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 91.5 p -77.84 146.02 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 m -104.07 -39.78 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -116.85 152.73 33.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -90.92 161.03 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.3 -160.82 9.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -83.59 41.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -86.23 157.91 19.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.04 125.04 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -74.46 -43.93 53.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.7 76.88 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.56 -55.73 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -43.79 -50.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -45.79 -48.93 15.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.38 -46.46 88.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.8 -57.91 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' O ' ' N ' ' A' ' 18' ' ' MET . 95.8 mt -42.16 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -39.69 -28.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CZ ' HD13 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -89.4 -36.01 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' LEU . 16.7 mtp -62.11 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.568 ' CE1' ' HG2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -43.54 -40.35 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.568 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 6.5 mm-40 -51.7 -46.45 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.565 HD13 ' CZ ' ' A' ' 17' ' ' PHE . 14.7 mt -76.55 143.52 72.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.99 15.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.03 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.37 -41.56 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.7 -32.31 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -49.2 -42.78 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.446 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . 3.4 mtt -81.85 160.52 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' MET . 15.2 t -88.08 160.55 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.443 ' C ' ' O ' ' A' ' 28' ' ' THR . 5.8 tpt -34.36 -68.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' MET . 65.6 m -36.49 -68.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 27' ' ' MET . 59.2 t -40.61 -56.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -42.56 -52.54 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 ttt-85 -61.98 -57.97 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -40.1 -42.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 10.5 mt -64.5 -45.68 86.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.3 -27.19 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -68.72 -35.3 76.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.407 HG13 ' CG ' ' A' ' 118' ' ' ASP . 22.5 m -112.46 21.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 7.2 mtt -88.47 110.79 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.401 HG22 ' N ' ' A' ' 41' ' ' PHE . 5.0 mp -82.55 145.5 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.401 ' N ' HG22 ' A' ' 40' ' ' ILE . 64.4 m-85 -98.09 123.39 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -142.11 136.74 30.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.8 t -140.04 147.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.2 t -112.5 127.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -94.63 -42.29 8.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -83.85 108.77 17.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.84 178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.16 18.65 2.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.5 142.86 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.469 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 2.3 mp -80.28 119.45 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 mm -86.89 -38.51 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.2 mt -152.64 133.31 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -89.91 155.36 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 128.23 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 18.52 58.29 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -88.71 115.72 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.48 88.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' C ' ' CG2' ' A' ' 89' ' ' ILE . 19.1 mt -55.18 118.68 4.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -118.83 -22.56 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.8 m -116.74 148.56 41.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -90.06 133.22 34.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 54.4 m-85 -116.67 132.41 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.413 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 84.7 t -129.49 117.76 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' CD1' HG23 ' A' ' 69' ' ' VAL . 71.4 mt -54.0 104.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt -82.8 -35.38 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -164.22 141.43 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.47 -166.86 19.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 69' ' ' VAL . 69.0 m -133.14 138.08 46.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' N ' HG23 ' A' ' 68' ' ' THR . 21.5 m -121.94 134.92 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -105.41 133.76 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 72' ' ' SER . 84.2 mt -111.13 135.94 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.425 ' N ' HG22 ' A' ' 71' ' ' ILE . 10.1 t -121.55 132.36 54.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -102.54 147.69 34.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.14 36.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -76.9 -45.36 28.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.27 32.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -129.51 145.35 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.5 t -127.4 125.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.47 136.75 40.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.91 116.41 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 71' ' ' ILE . 40.8 mt -106.64 165.38 11.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -146.32 167.2 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.1 ttt -44.07 115.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.05 -32.78 3.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.45 174.8 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 p -146.61 139.6 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.49 148.95 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.57 -127.27 3.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.446 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 11.2 pt -94.55 179.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 160.6 27.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.475 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.48 3.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.5 p -101.98 138.2 39.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.512 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 14.7 mt -42.92 -26.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 83.5 m-20 -51.34 157.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -101.84 173.8 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 2.1 mp0 -148.52 165.44 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -135.78 129.77 33.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.466 ' HE1' ' CG2' ' A' ' 102' ' ' VAL . 7.1 tpt -59.33 113.61 2.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.24 35.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.37 -174.93 43.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 102' ' ' VAL . 59.0 mt -112.68 135.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 111.17 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.466 ' CG2' ' HE1' ' A' ' 98' ' ' MET . 24.1 t -108.18 137.08 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -147.35 131.06 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 66.0 p -60.46 163.2 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -111.2 -23.8 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.6 m -140.57 178.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -93.28 179.64 5.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.3 27.79 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 4.5 m -78.42 123.21 26.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -96.38 147.35 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -150.71 139.7 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 113' ' ' CYS . 12.4 p -108.53 145.22 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.478 ' N ' HG23 ' A' ' 112' ' ' VAL . 1.8 m -123.32 145.5 48.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.424 HG13 ' C ' ' A' ' 113' ' ' CYS . 64.6 mt -146.85 121.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.62 147.92 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -60.21 -60.48 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 116' ' ' GLN . 11.4 mm-40 -35.66 -62.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.407 ' CG ' HG13 ' A' ' 38' ' ' VAL . 6.1 m-20 -57.2 -36.52 70.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.475 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 6.1 t80 -68.06 -12.19 60.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.523 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 44.4 t90 -117.22 0.52 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -107.54 -6.42 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.414 ' CG2' HG11 ' A' ' 31' ' ' VAL . 88.7 mt -106.79 -55.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.57 -51.41 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.459 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.4 m-80 -60.01 -176.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -97.56 44.83 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 127' ' ' GLU . 16.4 t -105.53 140.44 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 128' ' ' LYS . 25.2 tt0 36.22 43.54 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 127' ' ' GLU . 0.0 OUTLIER -36.55 -33.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 127' ' ' GLU . 2.4 t -74.76 67.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.76 -158.04 20.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.96 3.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 47.5 t -67.91 96.03 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.7 p -76.13 145.58 39.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -100.19 106.42 18.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -110.8 91.98 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.14 159.6 11.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.428 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.63 167.52 22.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -158.13 155.0 28.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.03 108.52 0.22 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -47.02 -49.47 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -102.87 48.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -59.25 -30.64 68.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 31.6 mt -66.03 -65.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -42.6 -40.62 2.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.34 -36.24 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' LEU . 3.0 mt -72.04 -59.47 2.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -34.11 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.78 -53.76 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -59.78 -41.0 90.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.429 ' CE ' ' HE3' ' A' ' 39' ' ' MET . 8.1 mtp -58.84 -31.19 68.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -69.59 -17.95 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -80.86 -28.11 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 mt -90.62 141.87 27.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -37.39 9.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.16 72.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -92.79 -15.47 26.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.15 -27.85 48.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.86 -47.81 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 171.59 9.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -86.69 -179.74 6.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.439 ' HG3' ' CD1' ' A' ' 15' ' ' LEU . 2.1 ttt -63.97 -48.17 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -42.37 -56.2 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 122' ' ' ILE . 30.8 t -57.3 -51.73 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -45.27 -63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.2 mtt180 -48.52 -51.29 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.06 -49.11 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.6 mt -50.09 -48.22 53.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.31 -23.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 p -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.18 23.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.429 ' HE3' ' CE ' ' A' ' 18' ' ' MET . 5.4 mtt -80.65 116.77 20.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 113' ' ' CYS . 4.4 mp -83.86 148.89 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -105.51 117.19 33.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -141.38 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 84.9 t -144.73 142.69 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.41 126.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.31 -42.36 9.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -80.54 112.29 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 164.48 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.51 21.31 62.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.24 143.26 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.546 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -76.62 131.96 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -101.89 -36.78 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.6 mt -151.17 133.94 15.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -93.97 157.49 16.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.63 133.13 51.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.63 29.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -107.4 124.5 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -67.02 87.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.9 mt -62.0 128.15 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -128.22 2.71 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -137.61 142.7 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -87.61 118.64 27.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.594 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 22.3 m-85 -99.17 132.93 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.46 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 79.8 t -129.76 120.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.55 111.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.8 mt -89.23 -39.24 13.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -159.8 137.94 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.51 -170.46 20.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.1 m -131.12 139.01 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 m -124.05 136.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -104.21 140.48 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.426 HG22 ' N ' ' A' ' 72' ' ' SER . 26.8 mt -116.69 136.96 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.426 ' N ' HG22 ' A' ' 71' ' ' ILE . 15.5 t -121.89 141.8 50.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -114.17 147.02 36.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.69 37.07 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.362 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -79.27 -40.52 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.08 35.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -132.73 147.58 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -129.5 115.35 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.19 119.64 34.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -100.81 119.07 38.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.419 ' O ' ' CD1' ' A' ' 82' ' ' PHE . 25.2 mt -105.28 166.17 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -142.75 168.58 19.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.0 ttt -44.45 117.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.38 -36.21 3.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.37 166.03 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 p -135.46 160.57 38.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -170.76 152.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 142.28 -102.35 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.483 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.537 ' CD1' ' CB ' ' A' ' 116' ' ' GLN . 18.0 pt -124.08 -174.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -108.17 160.98 24.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.442 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.84 3.1 3.01 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.4 p -100.14 150.43 22.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.564 HD13 ' CH2' ' A' ' 120' ' ' TRP . 76.1 mt -58.94 -12.4 4.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -65.84 141.22 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -90.38 163.98 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -145.81 158.81 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -123.19 131.49 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.438 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 6.1 tpt -56.63 132.58 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -107.56 33.52 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.02 -171.55 44.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.45 HG23 ' N ' ' A' ' 102' ' ' VAL . 67.6 mt -117.5 137.83 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 111.128 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.45 ' N ' HG23 ' A' ' 101' ' ' ILE . 20.4 t -112.99 132.72 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -143.25 130.9 21.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 6.9 p -56.66 162.95 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -118.04 -9.81 10.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 33.6 m -149.57 173.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.35 163.25 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 64.38 43.29 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 77.7 m -91.95 123.21 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -95.15 138.72 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 71.5 m-85 -141.51 154.07 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.46 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 14.7 p -123.95 145.91 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 14.1 m -124.9 146.44 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 113' ' ' CYS . 55.0 mt -144.82 120.35 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.88 140.18 15.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.537 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 4.3 pt20 -61.5 -38.28 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.463 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 1.4 mp0 -53.43 -52.27 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.78 -32.6 63.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.442 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.0 t80 -64.96 -10.33 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' A' ' 93' ' ' LEU . 20.4 t90 -114.48 -2.23 13.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.42 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 48.2 ttp85 -99.73 -19.67 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.468 HG22 ' CG1' ' A' ' 31' ' ' VAL . 63.7 mt -89.49 -64.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.3 -60.83 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.471 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 14.1 m-80 -57.97 179.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -116.47 35.79 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.47 HG23 ' CH2' ' A' ' 120' ' ' TRP . 3.3 p -67.51 -18.89 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -160.93 163.17 32.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -132.76 40.45 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.0 m -94.15 -65.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 96.15 -169.48 26.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.9 Cg_endo -69.77 2.26 3.7 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 131' ' ' PRO . 72.0 p -35.54 124.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 m -97.7 120.36 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -119.54 87.21 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 53.48 42.46 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.6 146.65 18.87 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -123.48 153.6 40.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -103.39 171.22 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.43 152.67 5.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -107.19 -44.19 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -90.9 42.82 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -52.32 -50.01 63.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.16 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -44.38 -37.59 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 17' ' ' PHE . 4.7 mt -64.06 -61.01 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -34.07 -59.34 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.68 -44.3 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.575 ' CZ ' ' CD1' ' A' ' 21' ' ' LEU . 2.8 t80 -71.59 -41.48 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 12.9 mtp -62.16 -12.42 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -85.31 -38.7 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.69 -6.22 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.575 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 42.4 mt -105.69 135.16 19.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -41.72 4.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -30.78 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -95.89 -49.52 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.48 -45.57 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.54 155.12 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 t -65.94 -179.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 30' ' ' SER . 3.4 ttt -61.36 -58.79 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' MET . 18.9 t -35.19 -68.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.458 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 93.5 t -37.05 -42.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.8 mtt180 -64.5 -57.34 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -46.26 -44.67 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.468 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 10.5 mt-10 -62.98 -41.87 99.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.406 ' N ' HD11 ' A' ' 122' ' ' ILE . 22.8 mt -60.26 -51.94 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 2.0 t -45.0 -22.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.9 t -70.74 -39.55 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 m -117.1 22.22 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.497 ' SD ' ' CD1' ' A' ' 114' ' ' ILE . 4.4 mmm -85.13 107.76 17.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' O ' ' CG2' ' A' ' 112' ' ' VAL . 27.9 mt -83.59 146.38 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -103.92 132.85 49.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -154.08 139.41 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.0 p -143.1 127.77 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.402 HG13 ' CB ' ' A' ' 49' ' ' ALA . 80.7 t -88.14 125.65 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.95 -43.35 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -86.23 120.01 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 176.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.93 19.46 10.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.402 ' CB ' HG13 ' A' ' 44' ' ' VAL . . . -79.41 140.52 37.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -78.53 118.23 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.433 HD12 ' CG2' ' A' ' 104' ' ' THR . 6.4 mm -82.12 -41.67 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.482 HD21 ' CE1' ' A' ' 62' ' ' TYR . 13.4 mt -149.6 142.95 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -102.19 143.36 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -62.2 140.34 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 29.1 39.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -117.6 120.63 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -55.49 91.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.466 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 10.4 mt -61.77 110.49 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -117.65 26.52 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 3.6 m -162.64 125.47 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.589 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 19.2 t90 -79.57 131.81 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.53 ' CE1' ' O ' ' A' ' 60' ' ' SER . 10.8 m-85 -106.91 153.34 22.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.589 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 97.7 t -144.42 127.04 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 38.9 mt -61.72 117.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -96.19 -36.55 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -163.04 132.93 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.93 -170.69 20.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 69' ' ' VAL . 30.6 m -125.91 140.25 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 ' N ' HG21 ' A' ' 68' ' ' THR . 20.9 m -123.23 134.86 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -106.8 129.43 54.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 74.8 mt -106.39 137.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 m -120.24 130.85 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -106.54 146.22 32.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.33 35.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -75.87 -40.55 54.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.95 30.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -123.61 149.79 44.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.8 t -136.79 109.04 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -89.12 133.37 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.96 108.42 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.3 mt -99.67 154.31 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.66 172.19 12.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -44.66 118.38 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.45 -33.14 5.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -62.82 178.33 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 p -144.94 156.09 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -168.9 147.87 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.24 -79.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -153.39 167.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 160.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.4 p -89.79 150.7 22.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 11.2 mt -66.81 -20.55 65.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.22 130.65 42.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 152.89 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -143.09 138.2 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -108.03 137.16 46.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -60.02 105.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -85.58 33.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.49 47.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.5 mt -120.24 130.98 73.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.36 140.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -152.05 131.06 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.433 ' CG2' HD12 ' A' ' 51' ' ' ILE . 18.5 p -59.83 163.19 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -111.31 -22.89 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.8 m -138.85 -178.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -96.51 170.24 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 61.93 28.47 17.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.478 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 6.3 m -79.64 129.73 34.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 111' ' ' PHE . 40.2 mt-30 -102.65 155.27 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.478 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.5 m-85 -157.24 169.47 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 40' ' ' ILE . 8.0 p -138.52 146.84 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.2 m -118.96 145.24 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.497 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 55.5 mt -144.86 120.5 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.69 147.94 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -66.33 -49.0 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -51.28 -40.93 60.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.423 ' HA ' ' CD ' ' A' ' 121' ' ' ARG . 10.4 m-20 -76.3 -31.8 58.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.563 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 9.1 t80 -68.59 -9.43 49.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.956 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.561 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 18.7 t90 -120.26 0.56 10.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.492 HH21 ' N ' ' A' ' 130' ' ' GLY . 5.9 ptm180 -98.57 -24.52 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.468 ' CG2' ' HB2' ' A' ' 34' ' ' GLU . 60.5 mt -89.2 -62.06 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 124' ' ' ASN . 4.4 mp -54.58 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.549 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 15.3 m-80 -49.31 179.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -97.32 44.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 121' ' ' ARG . 60.1 t -69.52 136.35 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -123.91 -28.28 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -57.96 -11.81 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -164.77 150.75 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . 0.492 ' N ' HH21 ' A' ' 121' ' ' ARG . . . 141.84 167.1 11.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.6 Cg_endo -69.75 -29.99 23.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 131' ' ' PRO . 52.8 p -36.51 104.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.6 m -125.64 93.43 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 m -120.19 128.1 53.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -94.32 -50.63 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.86 93.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -51.4 131.7 28.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -101.02 158.12 16.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.22 149.51 21.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -68.76 -43.82 74.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.26 80.64 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -78.52 -53.51 7.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' GLU . 7.3 mt -56.13 -59.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . 5.3 mm-40 -36.77 -52.86 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.02 -45.52 93.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.03 -50.45 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -49.39 -68.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.16 -36.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.56 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -66.55 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.477 ' HG2' ' CG ' ' A' ' 24' ' ' PHE . 2.1 mtt -46.13 -40.22 10.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' NH1' ' A' ' 32' ' ' ARG . 4.6 m80 -51.67 -34.64 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.75 -42.91 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.56 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -85.65 136.26 37.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -34.79 13.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' SD ' ' A' ' 27' ' ' MET . . . -55.3 -39.39 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.477 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 21.2 m-85 -85.77 -49.75 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.15 -39.74 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -47.04 -50.13 20.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -72.2 165.17 24.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 t -89.47 158.63 17.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 tpt -38.67 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 m -38.14 -66.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 79.1 t -39.59 -59.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 19' ' ' HIS . 48.9 mtt180 -40.07 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ARG . 14.8 ttt180 -34.47 -55.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -54.37 -42.41 70.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' ARG . 44.8 mt -62.78 -45.84 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 72.1 m -54.56 -18.17 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -97.73 -20.63 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.806 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.3 m -112.8 14.52 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.46 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 5.9 ptp -111.26 146.68 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.4 mt -95.82 154.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -115.96 114.25 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -139.85 153.14 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.45 121.21 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.34 126.89 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -88.91 -41.34 12.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -86.44 119.6 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.72 178.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.38 9.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.36 141.22 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.536 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -78.21 118.63 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.441 ' CG1' HG13 ' A' ' 102' ' ' VAL . 2.6 mm -87.74 -42.77 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.29 146.88 30.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -108.38 152.69 24.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -66.88 134.76 52.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.03 30.77 24.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.26 126.61 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.46 ' HB2' ' CE2' ' A' ' 97' ' ' TYR . 8.9 tt0 -66.87 86.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 ' CB ' HG21 ' A' ' 89' ' ' ILE . 6.7 mt -54.79 124.12 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -129.74 -3.14 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.3 m -134.18 126.77 30.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.5 ' CZ2' HG21 ' A' ' 63' ' ' VAL . 29.4 t90 -75.72 124.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.0 m-85 -101.59 151.6 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.5 HG21 ' CZ2' ' A' ' 61' ' ' TRP . 61.5 t -139.95 153.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.6 mt -97.44 98.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.35 -36.25 34.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.15 141.48 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.23 177.0 39.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.425 HG23 ' N ' ' A' ' 69' ' ' VAL . 65.5 m -120.55 135.09 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.135 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 68' ' ' THR . 17.5 m -116.55 142.23 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -114.42 140.44 48.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.2 mt -114.26 142.61 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -127.24 130.34 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -102.76 149.49 36.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.29 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.2 -46.53 17.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -126.5 145.84 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 57.6 t -134.91 103.92 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.96 172.93 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.95 109.74 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 29.6 mt -107.22 153.95 21.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -133.05 162.47 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 8.4 ttt -38.33 115.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.6 -39.31 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.44 175.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -148.43 149.36 31.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -149.41 164.95 33.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 129.87 -100.5 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.422 HG21 ' CB ' ' A' ' 58' ' ' LEU . 18.9 pt -127.81 -176.79 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.22 160.41 26.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.551 0.691 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.76 -0.36 6.8 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 34.0 p -97.97 131.43 44.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' THR . 58.5 mt -34.43 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.1 m-20 -42.22 139.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -93.8 176.29 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -166.34 160.98 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.46 ' CE2' ' HB2' ' A' ' 57' ' ' GLU . 5.2 m-85 -127.41 146.82 50.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 tpt -66.01 136.77 56.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.47 29.46 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.22 -160.06 22.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.9 mt -130.34 127.36 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.441 HG13 ' CG1' ' A' ' 51' ' ' ILE . 13.3 t -98.65 144.34 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -156.5 131.41 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 64.2 p -64.01 151.22 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -98.01 -28.83 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.09 173.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -91.0 174.18 7.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.31 34.53 20.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 5.9 m -82.16 131.95 35.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -107.63 140.19 41.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 77.2 m-85 -143.15 174.54 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 3.4 p -146.47 142.68 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 10.0 m -116.31 131.61 56.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 95.0 mt -130.21 122.71 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.44 137.04 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -51.83 -58.65 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -40.31 -54.5 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.24 -30.98 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.9 t80 -69.69 -21.22 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.646 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 42.3 t90 -109.89 1.86 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -99.77 -13.29 19.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.461 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 53.1 mt -103.35 -50.55 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -66.47 -33.4 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 5.1 m-80 -83.98 -174.96 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -110.76 54.22 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 74.0 t -88.53 139.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -96.98 88.0 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 52.8 mmtt -146.47 166.65 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.0 t -60.62 137.82 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.73 -158.31 5.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -6.35 18.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.325 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.1 t -72.22 133.66 45.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -84.0 115.71 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.3 p -117.85 109.39 16.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -132.94 117.94 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.83 126.2 6.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -48.73 120.41 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -120.28 96.3 5.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.09 107.09 1.79 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -55.06 -31.75 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.67 28.32 8.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -50.99 -31.3 17.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.1 mt -79.59 -57.23 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.36 -45.42 8.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.7 -45.04 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 15' ' ' LEU . 3.1 mt -63.13 -59.75 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . 70.3 mt -35.23 -48.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.23 -49.09 79.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.531 ' CZ ' ' CD1' ' A' ' 21' ' ' LEU . 2.8 t80 -61.18 -56.1 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.566 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 10.6 mtp -44.75 -42.91 8.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.404 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 3.6 t-80 -53.17 -37.73 62.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -66.39 -41.73 88.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.531 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 7.2 mt -68.48 141.3 93.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -40.36 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.4 -42.17 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 35.0 m-85 -86.16 -17.95 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.37 90.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -53.61 -21.76 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.5 mtt -100.43 168.09 9.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -98.62 -178.16 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' ARG . 33.2 tpp -59.08 -66.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 29' ' ' MET . 58.4 m -35.28 -44.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 48.2 t -61.6 -45.59 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' MET . 96.9 mtt180 -56.14 -69.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -42.27 -46.56 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -58.31 -49.62 76.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 19.2 mt -55.99 -48.2 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.6 t -55.18 -15.43 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -93.37 -20.28 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 m -121.06 21.54 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.432 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 2.9 ptp -115.02 141.02 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 41' ' ' PHE . 4.3 mp -90.79 159.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.488 ' N ' ' CG2' ' A' ' 40' ' ' ILE . 27.3 m-85 -113.56 109.57 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -135.59 148.99 49.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.1 p -151.6 124.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 60.5 t -81.13 132.17 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -97.13 -35.99 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -97.1 110.09 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.24 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.91 17.74 30.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.9 136.85 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.067 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.2 mp -79.2 110.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 7.1 mm -73.59 -42.53 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -142.12 179.35 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.79 134.34 38.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.453 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 1.2 t70 -60.16 134.42 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.81 39.61 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' OE1' ' A' ' 56' ' ' GLN . 0.9 OUTLIER -128.12 143.83 51.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.309 . . . . 0.0 110.932 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.95 99.77 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 88' ' ' GLY . 8.5 mt -64.05 119.25 9.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.15 25.95 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -166.8 135.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.525 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 27.6 t90 -88.16 121.19 30.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.416 ' C ' HG23 ' A' ' 63' ' ' VAL . 57.2 m-85 -100.95 151.25 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.416 HG23 ' C ' ' A' ' 62' ' ' TYR . 61.4 t -138.4 147.72 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mt -87.31 102.41 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.92 -35.74 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -163.52 135.56 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.12 -168.55 14.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 52.2 m -133.23 132.98 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 111.139 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.0 132.6 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -104.48 129.88 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 72' ' ' SER . 69.2 mt -109.72 136.25 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 71' ' ' ILE . 25.5 t -118.25 142.81 47.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -110.87 147.15 35.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.29 37.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 -45.56 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.9 36.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -132.49 150.03 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.66 113.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -87.67 144.89 26.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.71 107.39 11.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.3 mt -100.78 149.89 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -124.67 169.38 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.8 ttt -45.15 115.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 126.66 -33.44 3.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -71.48 159.74 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 p -131.47 153.36 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -156.27 156.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.409 ' O ' ' CD1' ' A' ' 58' ' ' LEU . . . 139.06 -85.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.608 ' CD1' ' CB ' ' A' ' 116' ' ' GLN . 7.7 pt -143.02 -176.15 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.08 160.55 26.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.73 0.89 4.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.9 p -97.38 130.88 44.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 77.1 mt -38.18 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.991 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.1 m-20 -48.95 149.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 173.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -159.52 153.17 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.32 133.82 55.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 tpt -53.02 147.36 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -126.18 43.39 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.453 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 159.1 173.96 28.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.1 mt -103.99 125.47 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 t -96.12 133.87 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -145.88 130.85 18.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 57.6 p -59.31 161.41 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -108.49 -32.15 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.74 171.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.88 172.9 11.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.4 t0 59.74 44.0 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.488 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 8.6 m -93.8 123.2 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.86 149.06 22.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.488 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 84.6 m-85 -151.51 167.98 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 113' ' ' CYS . 12.3 p -138.32 142.67 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.436 ' N ' HG23 ' A' ' 112' ' ' VAL . 1.7 t -110.49 139.92 45.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 62.4 mt -146.4 120.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 142.77 55.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.608 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 6.0 pt20 -61.87 -40.58 95.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.459 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 12.8 mm-40 -51.81 -50.11 61.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.43 -28.93 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 4.4 t80 -66.24 -13.09 59.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.548 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 59.3 t90 -113.02 4.45 16.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.445 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 1.9 tpt180 -104.95 -24.02 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 85.5 mt -92.42 -62.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -54.98 -57.28 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.422 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 8.7 m-80 -58.86 -177.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -114.43 33.42 5.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 121' ' ' ARG . 7.4 p -74.99 -13.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -109.91 179.83 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -119.0 -45.77 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 72.0 p -131.11 44.07 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 67.09 -159.11 50.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.45 5.69 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.709 2.273 . . . . 0.0 112.29 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 80.8 p -82.56 176.24 9.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.9 p -49.28 141.87 8.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -127.35 132.7 50.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -128.96 90.65 3.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.07 154.43 25.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 6' ' ' SER . 57.8 m -52.86 -48.52 67.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' SER . 97.7 p 37.2 45.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.38 110.56 2.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.13 -34.49 77.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -103.92 39.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.426 ' HA ' ' CD ' ' A' ' 13' ' ' GLN . 4.9 p-10 -65.27 -30.56 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mt -67.82 -59.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.22 -54.73 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 5.6 pt20 -57.97 -49.32 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.59 -57.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 30.6 mt -48.58 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 13' ' ' GLN . 7.9 pt-20 -40.52 -34.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -73.84 -48.25 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mtp -50.87 -31.88 18.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -64.84 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 22.7 mt -75.27 142.23 74.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.54 3.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.8 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -86.73 -40.54 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.99 -33.09 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -46.13 -46.58 17.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.41 161.27 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -86.32 173.46 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 ttt -50.9 -46.41 60.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -41.57 -66.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -48.97 -48.72 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 35' ' ' LEU . 58.3 mtt180 -49.29 -69.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -38.38 -52.52 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.64 -41.21 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 32' ' ' ARG . 13.0 mt -64.17 -52.49 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t -68.22 -36.78 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 35' ' ' LEU . 31.9 m -115.21 22.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 114' ' ' ILE . 2.6 mmm -88.96 115.68 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.63 148.62 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.79 133.14 46.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -150.86 129.14 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.9 t -137.33 127.34 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' CB ' ' A' ' 49' ' ' ALA . 58.8 t -94.63 122.84 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -89.61 -39.63 13.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.0 118.9 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 176.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.98 23.88 12.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' CB ' HG12 ' A' ' 44' ' ' VAL . . . -81.18 140.3 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.55 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -80.19 121.82 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.454 ' CG1' HG13 ' A' ' 102' ' ' VAL . 2.5 mm -85.37 -40.22 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD21 ' CE1' ' A' ' 62' ' ' TYR . 27.1 mt -148.79 171.21 16.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.3 146.94 51.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.83 126.61 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.29 29.44 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -118.95 118.38 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.59 96.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.469 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 6.8 mt -64.56 118.97 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 59' ' ' ASP . 35.9 p30 -128.39 27.61 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -160.49 141.41 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 20.9 t90 -92.17 123.04 35.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.7 m-85 -105.99 117.36 33.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.442 HG23 ' CZ2' ' A' ' 61' ' ' TRP . 95.0 t -113.99 123.04 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.445 HD11 ' CG2' ' A' ' 69' ' ' VAL . 37.1 mt -60.39 112.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 21.8 mt -94.24 -36.04 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -159.89 149.83 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.39 -163.9 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.445 HG22 ' N ' ' A' ' 69' ' ' VAL . 88.1 m -134.98 137.55 43.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' HD11 ' A' ' 64' ' ' ILE . 28.4 m -120.89 130.02 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.61 126.55 52.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.3 mt -104.01 144.46 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 m -131.38 117.08 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -89.03 151.04 46.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.226 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.77 -43.28 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.76 31.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -123.73 152.7 41.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 37.4 t -136.86 108.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -87.67 135.46 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -112.18 107.11 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -104.1 152.13 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.82 172.82 11.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 16.5 ttt -44.78 118.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 121.64 -43.16 1.54 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.92 165.95 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 p -134.23 157.35 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 62' ' ' TYR . 27.3 p90 -166.21 147.32 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.36 -100.23 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.469 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 6.8 pt -130.62 171.04 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.442 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -102.3 162.01 21.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.6 0.714 . . . . 0.0 111.104 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 4.27 2.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -98.29 129.1 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.6 mt -42.98 -29.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -39.46 130.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -73.68 146.17 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.442 ' NE2' ' OG1' ' A' ' 90' ' ' THR . 17.2 mt-30 -141.72 130.88 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.01 133.16 52.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 11.9 tpt -56.04 143.14 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -124.59 40.49 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.15 179.36 45.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.31 120.95 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.454 HG13 ' CG1' ' A' ' 51' ' ' ILE . 4.5 t -92.86 142.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -151.38 130.88 12.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 55.5 p -60.15 167.73 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -114.71 -27.47 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 m -134.89 -177.25 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.85 170.06 9.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 56.18 48.63 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.538 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 44.7 m -95.02 134.53 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -101.22 145.92 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.538 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 76.4 m-85 -153.98 139.7 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.403 ' CG2' ' SD ' ' A' ' 39' ' ' MET . 4.4 p -108.0 151.09 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 m -127.8 146.84 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.498 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 65.9 mt -146.93 118.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.13 139.1 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -49.46 -56.46 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -43.18 -66.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -51.04 -44.57 61.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.613 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.4 t80 -53.88 -35.13 61.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.534 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 57.0 t90 -95.67 2.59 54.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.459 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 42.5 ttm-85 -99.28 -18.28 17.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 53.2 mt -99.04 -70.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -45.85 -40.37 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.477 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 6.9 m-80 -76.42 -175.12 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -114.35 66.18 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.459 ' CG1' ' HA ' ' A' ' 121' ' ' ARG . 7.7 p -123.24 73.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -64.88 94.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -169.31 112.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.4 m 67.18 52.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.29 -157.4 26.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.76 3.22 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.273 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.7 t -101.11 142.13 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.1 p -116.61 133.92 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.9 p -171.27 145.81 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -81.75 164.35 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.01 -163.49 33.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -61.2 135.79 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 m -111.67 169.44 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.62 161.18 52.76 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.27 -53.94 6.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -118.63 70.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 13' ' ' GLN . 7.7 t70 -51.84 -64.85 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.0 mm -40.0 -45.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 10' ' ' ASP . 40.7 mt-30 -70.87 -34.33 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' CD1' ' SG ' ' A' ' 36' ' ' CYS . 7.7 mt -72.95 -60.5 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -42.4 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 13.6 pt-20 -42.51 -39.99 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.481 ' CD1' ' O ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -71.08 -39.09 72.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.407 ' CE ' ' HE2' ' A' ' 39' ' ' MET . 15.9 mtp -65.2 -14.55 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.496 ' CD2' HH12 ' A' ' 32' ' ' ARG . 8.4 t-80 -80.35 -15.62 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -94.2 -13.62 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.476 HD13 ' CZ ' ' A' ' 17' ' ' PHE . 43.9 mt -102.99 140.26 20.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.72 -35.79 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -93.32 -35.31 13.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.01 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -70.46 -7.58 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.78 152.51 50.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -54.51 161.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.86 -44.81 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 t -51.91 -23.48 4.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 t -87.25 -25.82 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.496 HH12 ' CD2' ' A' ' 19' ' ' HIS . 96.9 mtt180 -68.16 -54.08 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.05 -45.58 75.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.56 -38.96 70.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.1 mt -63.84 -45.05 91.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.426 ' SG ' ' CD1' ' A' ' 14' ' ' LEU . 49.0 t -52.25 -23.8 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -74.66 -35.18 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.32 21.48 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.407 ' HE2' ' CE ' ' A' ' 18' ' ' MET . 4.6 mtt -84.57 140.12 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.8 mm -102.34 157.79 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -113.3 114.36 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -141.46 142.4 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.25 125.47 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.3 t -90.31 123.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -91.38 -43.44 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -81.9 103.54 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.55 171.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.12 33.14 37.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.11 146.48 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.08 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.462 HD12 ' N ' ' A' ' 50' ' ' ILE . 2.7 mp -80.57 123.47 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 104' ' ' THR . 3.2 mm -92.5 -35.7 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.5 mt -154.72 127.06 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -87.0 152.0 22.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.51 109.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.86 24.03 8.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -97.86 109.68 22.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -45.81 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' A' ' 88' ' ' GLY . 13.5 mt -66.99 114.31 5.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -125.26 33.89 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.7 p -169.36 133.54 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.419 ' CZ2' ' HB2' ' A' ' 86' ' ' SER . 15.2 t90 -82.51 121.92 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.533 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 m-85 -104.03 137.7 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.1 t -134.37 117.2 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.7 mt -53.65 115.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.58 -43.29 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -155.76 121.34 4.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.79 -168.75 13.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.416 HG22 ' N ' ' A' ' 69' ' ' VAL . 98.9 m -132.21 135.37 46.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' N ' HG22 ' A' ' 68' ' ' THR . 17.0 m -117.29 133.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -104.76 132.36 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.3 mt -110.05 131.41 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -118.85 127.54 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -98.69 148.77 35.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.49 37.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -76.23 -43.89 40.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.29 33.12 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.93 156.18 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 25.9 t -137.89 118.33 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.96 121.47 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.81 118.65 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.434 HD22 ' ND2' ' A' ' 85' ' ' ASN . 48.9 mt -110.56 163.85 13.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 83' ' ' MET . 25.7 m-85 -144.73 158.95 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 82' ' ' PHE . 9.9 ttt -34.52 110.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 133.53 -25.48 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.434 ' ND2' HD22 ' A' ' 81' ' ' LEU . 3.6 t-20 -75.79 171.73 13.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.419 ' HB2' ' CZ2' ' A' ' 61' ' ' TRP . 58.7 p -141.0 129.62 22.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 8.3 p90 -144.16 154.01 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.476 ' O ' ' CD1' ' A' ' 58' ' ' LEU . . . 139.28 -83.8 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 116' ' ' GLN . 10.1 pt -142.98 175.58 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.446 ' H ' ' NE2' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -101.32 160.53 26.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.522 0.677 . . . . 0.0 111.183 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.8 Cg_endo -69.79 0.92 4.97 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' ASP . 58.4 p -92.79 134.54 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.512 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 19.8 mt -42.28 -24.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 92' ' ' THR . 3.7 t70 -58.76 155.88 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -100.63 165.72 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.446 ' NE2' ' H ' ' A' ' 90' ' ' THR . 3.7 mp0 -147.67 147.9 30.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.49 149.01 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.467 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 0.0 OUTLIER -64.94 112.41 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -83.7 37.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' N ' ' SD ' ' A' ' 98' ' ' MET . . . 163.67 -161.9 34.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.27 123.52 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.467 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 18.8 t -98.66 140.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -148.33 131.13 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.423 ' CG2' HD11 ' A' ' 51' ' ' ILE . 14.6 p -61.25 154.61 23.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -103.5 -22.2 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.48 173.19 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.4 175.8 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.18 40.88 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.12 129.7 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -95.84 135.24 37.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.31 142.53 37.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 113' ' ' CYS . 14.4 p -116.49 143.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 112' ' ' VAL . 56.8 m -120.49 149.37 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 52.1 mt -144.82 119.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.15 147.89 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 93' ' ' LEU . 3.2 tt0 -65.03 -58.82 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -40.03 -49.51 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.41 -38.6 77.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.8 t80 -62.28 -23.71 66.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 53.0 t90 -101.0 4.65 42.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 121' ' ' ARG . 14.5 ttm105 -102.98 -27.34 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 52.7 mt -87.29 -72.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.05 -54.79 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.448 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.0 m-80 -55.31 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -93.15 49.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.25 70.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -89.58 -28.99 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -33.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.3 t -86.47 -70.69 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 60.07 128.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.94 4.33 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.359 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.2 t -144.35 114.6 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.8 m -119.8 110.79 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -72.43 125.42 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -98.87 150.36 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.97 89.37 1.0 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -113.06 128.25 56.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -100.9 146.12 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.39 161.18 11.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -104.59 -47.56 4.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -123.46 71.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.13 -59.53 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LEU . 33.9 mt -42.28 -51.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -46.09 -42.08 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.98 -26.57 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 34.0 tp -78.46 -47.3 17.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -49.49 -53.58 22.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -44.27 -48.86 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CZ ' HD12 ' A' ' 21' ' ' LEU . 1.9 t80 -60.41 -58.61 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.555 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.5 mtp -42.23 -47.31 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.498 ' CD2' HH12 ' A' ' 32' ' ' ARG . 2.3 t-80 -45.85 -42.22 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -58.02 -44.15 87.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 HD12 ' CZ ' ' A' ' 17' ' ' PHE . 11.8 mt -69.73 139.21 88.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.61 0.719 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.9 9.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.34 79.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.555 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 20.8 m-85 -88.76 -39.81 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.79 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -42.8 -45.27 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 7.3 mtt -76.06 161.36 28.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.4 t -85.27 160.65 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.66 -53.54 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' VAL . 28.3 m -47.57 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.46 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 80.6 t -36.26 -54.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.498 HH12 ' CD2' ' A' ' 19' ' ' HIS . 93.4 mtt180 -45.47 -49.52 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -61.81 -54.04 47.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -51.6 -36.45 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 23.2 mt -62.34 -49.33 76.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 49.4 t -59.78 -12.11 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -97.7 -10.08 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.0 m -132.54 21.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.461 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 3.4 ptp -114.31 156.47 24.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 113' ' ' CYS . 34.6 mt -106.03 145.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.43 ' N ' HG23 ' A' ' 40' ' ' ILE . 41.8 m-85 -102.18 103.67 14.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -127.99 156.67 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -152.8 123.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -78.38 131.59 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -95.8 -38.71 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -92.43 111.31 22.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.406 ' HB3' ' CG ' ' A' ' 107' ' ' ASP . . . -53.45 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 43.34 35.97 2.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.05 138.63 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.518 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.4 mp -74.55 110.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.45 ' CG1' HG12 ' A' ' 102' ' ' VAL . 6.7 mm -76.81 -42.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -143.99 155.89 44.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -111.51 150.56 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.03 138.78 57.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.08 40.07 62.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -117.87 113.76 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -50.29 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.38 127.94 34.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -125.49 -28.81 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 m -104.4 153.58 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.618 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 21.6 t90 -97.38 145.29 26.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 27.4 m-85 -128.43 128.55 44.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.555 HG23 ' CZ2' ' A' ' 61' ' ' TRP . 97.2 t -122.9 134.51 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mt -72.43 104.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 75.6 mt -83.71 -41.87 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -156.02 138.89 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.68 -177.32 26.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.488 ' CG2' ' HG3' ' A' ' 105' ' ' LYS . 92.6 m -121.63 138.46 54.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.136 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.45 ' N ' HG21 ' A' ' 68' ' ' THR . 21.0 m -122.81 135.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -111.67 141.5 45.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 65.4 mt -114.72 135.58 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t -118.56 131.6 56.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -101.68 148.09 34.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -16.28 37.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -75.48 -45.84 36.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.7 33.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -128.34 163.04 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -147.88 119.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -92.0 168.6 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.23 107.21 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.0 mt -100.19 155.87 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -127.56 177.51 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ttt -53.54 118.04 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.22 -31.52 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.85 170.34 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.9 p -142.12 142.48 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.543 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.9 p90 -145.25 147.76 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.68 -106.66 0.49 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 6.0 pt -121.62 159.77 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 111.098 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.89 158.86 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.543 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.4 Cg_endo -69.75 2.74 3.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.406 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' LEU . 71.8 p -99.15 131.12 45.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 92' ' ' THR . 17.1 mt -34.93 -36.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' THR . 34.6 m-20 -44.1 141.07 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -78.64 169.18 18.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -145.7 132.39 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -110.71 139.98 45.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.0 tpt -77.38 142.42 39.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -123.17 31.75 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.86 -169.05 37.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.9 128.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.45 HG12 ' CG1' ' A' ' 51' ' ' ILE . 42.8 t -99.18 139.25 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 8.6 mtp180 -145.87 134.25 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 15.2 p -59.04 165.22 2.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.488 ' HG3' ' CG2' ' A' ' 68' ' ' THR . 3.6 mmpt? -108.34 -27.34 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.19 -178.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -94.38 162.66 13.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.22 46.66 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 34.5 m -94.02 128.58 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -97.84 143.83 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -146.4 172.3 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 8.1 p -141.87 140.46 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 1.8 t -115.15 130.74 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 32.1 mt -133.61 127.61 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.71 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 119' ' ' TYR . 35.0 tt0 -60.97 -63.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.2 mp0 -37.53 -55.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -61.81 -35.52 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.618 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.6 t80 -65.29 -36.95 85.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.555 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 45.0 t90 -94.05 3.11 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.485 ' CZ ' ' O ' ' A' ' 128' ' ' LYS . 8.8 tpt85 -101.53 -26.94 13.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 60.6 mt -89.19 -59.33 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.43 -64.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.532 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 12.5 m-80 -52.97 -178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -112.5 49.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.448 ' CG2' ' HA ' ' A' ' 121' ' ' ARG . 84.2 t -40.47 136.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.445 ' HG2' ' N ' ' A' ' 128' ' ' LYS . 5.7 pm0 -34.89 -37.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . 0.485 ' O ' ' CZ ' ' A' ' 121' ' ' ARG . 7.7 mmmm -124.89 92.91 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.9 p -75.97 168.31 20.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.0 132.69 3.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.0 t -67.18 109.71 3.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 t -84.99 128.03 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -113.22 -46.91 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -49.54 123.19 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.75 150.53 2.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -86.76 149.92 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -92.27 122.27 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.83 158.69 10.83 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -74.18 -42.82 59.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -132.55 80.14 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -83.32 -47.06 11.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.1 -45.11 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -46.21 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -60.93 -13.26 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.92 -45.34 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' MET . 22.8 mt -56.44 -65.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 6.3 pt-20 -38.87 -36.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.568 ' CZ ' HD13 ' A' ' 21' ' ' LEU . 1.5 t80 -75.03 -38.92 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 24' ' ' PHE . 11.1 mmm -57.4 -49.7 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.26 -23.12 62.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.441 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 4.6 mm100 -67.31 -13.58 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.568 HD13 ' CZ ' ' A' ' 17' ' ' PHE . 77.5 mt -103.8 144.86 29.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.83 5.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -26.64 68.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' A' ' 18' ' ' MET . 2.7 m-85 -97.56 -25.08 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.34 12.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.65 -40.38 59.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 13.0 mtt -87.73 166.08 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -108.37 173.36 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.4 mmm -41.55 -59.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -39.38 -69.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' CG1' HD12 ' A' ' 35' ' ' LEU . 19.9 t -44.47 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.7 -47.0 30.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -61.17 -49.44 77.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -56.9 -50.74 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 HD12 ' CG1' ' A' ' 31' ' ' VAL . 27.7 mt -51.99 -48.35 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 t -47.09 -20.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t -76.73 -36.23 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 25.8 m -114.4 23.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.501 ' SD ' ' CD1' ' A' ' 114' ' ' ILE . 1.5 mmt -90.93 119.37 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mt -86.75 140.62 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' C ' ' OE1' ' A' ' 42' ' ' GLU . 47.6 m-85 -97.0 126.9 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 41' ' ' PHE . 20.5 mp0 -143.33 145.72 32.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.56 124.77 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 84.5 t -93.55 126.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.21 -36.94 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -83.69 112.66 20.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 167.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.98 24.14 57.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.13 140.05 35.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.106 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.479 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 2.2 mp -78.7 117.6 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.9 mm -83.26 -40.51 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.3 mt -143.79 172.44 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.21 133.7 41.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 2.5 t70 -56.57 124.93 19.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.63 33.79 9.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -119.56 110.94 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.44 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 8.1 tt0 -46.68 99.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.7 126.75 29.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -129.72 28.67 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -171.64 142.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -86.57 138.5 31.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 37.2 m-85 -120.1 135.59 54.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.6 t -136.46 120.56 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.465 ' CD1' HG21 ' A' ' 69' ' ' VAL . 16.3 mt -54.4 119.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.421 HD11 ' C ' ' A' ' 111' ' ' PHE . 92.8 mt -97.09 -41.31 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -156.0 135.46 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.79 -170.52 20.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 m -122.26 150.13 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.11 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 64' ' ' ILE . 31.1 m -133.62 133.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -112.68 131.53 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.454 ' O ' ' CG1' ' A' ' 78' ' ' VAL . 51.8 mt -107.67 140.23 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -124.11 147.77 47.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -117.31 146.77 39.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.49 37.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.236 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.99 -47.36 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.98 37.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -136.54 149.41 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 71' ' ' ILE . 31.8 t -138.37 116.38 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -88.23 158.47 18.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.07 111.56 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.41 HD13 ' CD1' ' A' ' 71' ' ' ILE . 66.3 mt -106.41 154.81 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' MET . 42.4 m-85 -132.88 160.15 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' PHE . 17.2 ttt -36.52 109.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 134.97 -33.29 2.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.408 ' CG ' ' CD2' ' A' ' 81' ' ' LEU . 7.8 t-20 -68.2 174.17 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 p -145.23 136.16 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 34.1 p90 -143.96 146.81 33.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 145.52 -112.7 0.66 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.7 pt -119.91 -178.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -103.41 157.93 32.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.73 1.37 4.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.618 2.212 . . . . 0.0 112.378 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.7 p -100.23 135.47 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.487 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 42.8 mt -35.87 -32.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 7.9 m-20 -46.54 143.64 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -104.61 161.7 13.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -156.48 147.92 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.44 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 3.6 m-85 -103.59 160.57 14.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.469 ' HE2' ' CG2' ' A' ' 102' ' ' VAL . 12.7 tpt -69.8 151.41 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.62 34.0 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 164.63 -167.81 38.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.3 mt -116.48 140.94 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.469 ' CG2' ' HE2' ' A' ' 98' ' ' MET . 41.1 t -115.11 130.88 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -142.93 130.81 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 37.2 p -61.24 158.44 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -28.89 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.52 -176.62 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.22 168.86 9.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 70.61 26.4 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.3 m -81.1 136.73 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -112.1 143.5 43.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.421 ' C ' HD11 ' A' ' 65' ' ' LEU . 70.6 m-85 -142.58 164.92 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . . . . . . . . . 9.3 p -129.0 148.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.436 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 21.5 m -127.77 147.82 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.501 ' CD1' ' SD ' ' A' ' 39' ' ' MET . 63.1 mt -146.53 125.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.52 129.26 39.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 119' ' ' TYR . 34.8 tt0 -40.87 -64.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 116' ' ' GLN . 30.7 mm-40 -36.48 -59.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -63.62 -30.42 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.524 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.0 t80 -72.23 -19.31 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 43.4 t90 -110.19 2.38 19.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -98.18 -15.26 19.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 57.4 mt -101.97 -69.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.42 -46.26 18.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.53 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 10.9 m-80 -72.4 -175.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -121.42 54.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 3.5 p -82.72 136.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -54.17 145.38 17.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? 60.11 41.84 16.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.3 p -80.15 -177.39 6.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.83 122.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -10.81 29.5 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.8 p -162.34 154.11 18.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.2 m -147.43 164.12 34.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -164.96 172.06 13.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -108.24 4.16 24.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.82 -159.63 25.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 m -138.88 148.51 43.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -117.77 102.76 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.81 -158.35 9.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -106.76 -58.34 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -117.92 74.94 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -66.56 -49.56 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.5 mt -50.56 -33.52 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.44 -32.75 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -79.45 -18.93 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 17' ' ' PHE . 4.0 mt -91.79 -62.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' C ' ' O ' ' A' ' 14' ' ' LEU . 14.3 mt -35.7 -55.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 12.0 pt-20 -56.24 -40.58 74.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.2 t80 -67.28 -37.07 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.482 ' HE2' ' CE1' ' A' ' 24' ' ' PHE . 38.9 mtp -62.1 -11.93 16.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -81.4 -7.42 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -103.76 -15.51 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.534 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 30.9 mt -97.3 137.73 21.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -43.66 2.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.3 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.01 -28.41 57.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.482 ' CE1' ' HE2' ' A' ' 18' ' ' MET . 30.4 m-85 -95.51 -51.65 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.14 -32.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.42 -49.07 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.441 ' HB3' ' CG1' ' A' ' 31' ' ' VAL . 7.1 mtt -72.02 174.95 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' MET . 8.9 t -96.67 160.58 14.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' THR . 1.1 tpt -36.59 -68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' MET . 39.4 m -38.43 -66.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 27' ' ' MET . 20.3 t -38.09 -59.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -39.13 -58.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -53.44 -54.99 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.432 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 13.7 mm-40 -46.56 -47.5 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 mt -51.53 -52.01 50.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.6 t -55.91 -16.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -72.87 -31.84 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.38 19.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.7 mtt -74.75 134.58 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.4 mt -97.16 151.18 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -109.77 109.38 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -141.92 132.81 25.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.9 p -141.89 129.03 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.7 t -84.36 127.2 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -88.37 -34.13 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -95.18 123.53 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.98 176.54 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.0 33.38 29.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.23 144.28 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.312 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -81.07 117.66 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.8 mm -83.16 -40.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.1 mt -145.19 172.91 12.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -133.06 143.19 49.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -63.93 126.8 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.37 23.52 24.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -107.73 122.27 46.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 91.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' C ' ' CG2' ' A' ' 89' ' ' ILE . 5.6 mt -65.66 124.86 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.63 -8.69 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 139.82 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.1 t90 -91.56 119.03 31.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 6.8 m-85 -101.18 145.9 28.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 58.6 t -138.26 139.55 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 69' ' ' VAL . 11.3 mt -80.74 123.6 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 70.6 mt -107.48 -35.18 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -153.21 134.54 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.55 -169.85 19.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -132.72 133.54 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.152 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG22 ' CD1' ' A' ' 64' ' ' ILE . 23.3 m -113.19 141.51 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -116.62 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mt -111.36 134.59 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -118.07 140.1 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -111.86 148.34 38.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -17.98 36.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.11 -49.69 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.45 34.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -127.72 146.86 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.5 t -133.91 101.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 159.59 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.39 106.85 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.515 ' CD2' ' CG ' ' A' ' 85' ' ' ASN . 15.3 mt -99.85 153.55 19.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -128.61 166.79 18.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.9 ttt -39.7 110.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 135.09 -34.19 2.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . 0.616 ' ND2' ' H ' ' A' ' 86' ' ' SER . 1.4 t30 -74.74 170.2 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.616 ' H ' ' ND2' ' A' ' 85' ' ' ASN . 0.7 OUTLIER -145.6 146.07 31.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 10.4 p90 -142.22 151.45 42.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.5 -112.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.528 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.414 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 7.2 pt -115.32 -175.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.33 160.2 30.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.511 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 0.53 5.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' ASP . 46.7 p -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.466 HD11 ' CZ2' ' A' ' 120' ' ' TRP . 20.7 mt -37.82 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.47 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.7 m-20 -48.69 150.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.89 175.36 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 6.5 mp0 -150.41 165.42 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -139.14 132.53 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.0 tpt -65.07 139.4 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -120.53 32.29 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.18 178.98 48.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.41 117.8 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.55 141.63 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -149.47 130.84 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 70.9 p -60.1 158.99 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -104.44 -34.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.0 -179.38 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.39 168.1 11.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.22 48.42 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 35.9 m -93.16 127.93 38.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -99.22 145.46 27.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 109' ' ' CYS . 64.6 m-85 -152.32 153.37 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.463 HG21 ' N ' ' A' ' 113' ' ' CYS . 13.6 p -126.41 142.23 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 63.1 m -120.19 143.56 48.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 74.6 mt -136.61 119.54 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.82 136.81 39.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' TYR . 32.8 tt0 -49.35 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.4 mp0 -36.94 -61.5 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.23 -30.32 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.1 t80 -71.32 -23.36 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 9.9 t90 -104.28 -2.31 25.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -98.86 -0.13 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.432 ' CG2' ' HB2' ' A' ' 34' ' ' GLU . 72.5 mt -112.75 -59.92 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -84.99 -175.78 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -115.84 54.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.483 HG22 ' CH2' ' A' ' 120' ' ' TRP . 79.3 t -73.86 -47.59 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -130.59 144.86 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -49.66 -55.83 12.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -96.15 173.36 7.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.94 -157.71 14.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -26.87 26.95 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.8 p -85.24 120.25 26.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.2 m -62.76 177.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -142.73 171.49 13.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -112.26 -46.98 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.25 -136.99 13.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -65.92 100.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -164.3 140.42 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.88 152.14 19.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.66 -44.28 96.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.09 51.88 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.82 -46.12 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mm -52.52 -69.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -40.61 -58.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -53.08 -33.44 52.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.81 -51.12 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -56.93 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 5.3 pt-20 -46.7 -31.97 3.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -82.99 -37.68 23.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.551 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 28.3 mmm -49.0 -20.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -69.84 -35.36 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.548 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 22.8 mt-30 -60.46 -38.69 85.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.524 HD13 ' CD2' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -83.95 133.81 45.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.664 0.745 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.56 9.01 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.697 2.264 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.28 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CG ' ' SD ' ' A' ' 18' ' ' MET . 21.7 m-85 -89.42 -48.5 7.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.66 -51.33 21.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -40.94 -41.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.0 mtt -69.43 176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' MET . 1.3 p -103.46 158.41 16.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' THR . 14.7 tpt -35.89 -56.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -49.69 -66.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 93.9 t -46.87 -54.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.42 ' HD2' ' C ' ' A' ' 28' ' ' THR . 44.9 mtt180 -45.69 -57.88 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -57.8 -58.34 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -40.46 -44.52 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 29.3 mt -62.54 -45.68 91.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.6 t -59.72 -14.59 14.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -97.03 -8.01 31.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.5 m -130.12 8.62 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.469 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 2.1 ptp -103.13 135.9 43.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.446 HG23 ' N ' ' A' ' 41' ' ' PHE . 30.6 mt -82.39 160.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.446 ' N ' HG23 ' A' ' 40' ' ' ILE . 35.2 m-85 -111.23 109.36 19.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.5 150.0 51.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.26 120.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.3 t -84.04 129.85 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -93.92 -39.19 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.29 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.94 -175.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.0 33.23 2.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.5 141.37 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.063 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.511 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -79.54 110.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.1 mm -74.28 -42.19 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 64.3 mt -146.09 161.34 40.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -115.71 141.62 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -56.93 129.72 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.03 62.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.11 117.85 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.05 93.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.45 ' C ' ' CG2' ' A' ' 89' ' ' ILE . 6.3 mt -64.48 117.76 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -121.59 -28.96 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.471 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 1.4 m -108.78 132.44 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -77.06 139.42 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.6 m-85 -118.32 128.87 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 53.7 t -122.6 126.2 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.455 ' CD1' HG21 ' A' ' 69' ' ' VAL . 95.5 mt -66.78 110.45 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.45 -36.9 13.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -157.8 140.07 14.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.67 -176.63 33.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.0 m -124.96 135.12 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.163 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.455 HG21 ' CD1' ' A' ' 64' ' ' ILE . 20.3 m -116.46 132.22 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -104.21 129.18 51.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.6 mt -104.3 138.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 p -115.73 129.2 56.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.61 146.31 32.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.16 32.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.94 -39.43 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.94 32.63 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.48 161.31 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 71.6 t -143.62 115.44 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.12 147.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.43 106.86 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.0 mt -99.52 159.75 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.64 170.18 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.5 ttt -45.43 121.03 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.99 -28.92 8.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -66.4 161.39 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.0 p -129.81 161.27 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -169.94 151.81 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 135.93 -104.12 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.45 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 7.6 pt -113.13 -178.49 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.0 160.68 26.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.432 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.5 Cg_endo -69.78 2.27 3.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.1 p -97.23 148.98 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.511 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 18.3 mt -58.46 -19.17 34.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.26 149.59 32.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.29 168.39 10.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -152.69 161.69 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 99' ' ' HIS . 17.2 m-85 -125.17 134.86 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.429 ' HE1' ' CG2' ' A' ' 102' ' ' VAL . 10.6 tpt -61.31 136.35 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 43.2 m-70 -115.9 34.99 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.23 -166.78 35.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.4 mt -126.59 122.6 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.429 ' CG2' ' HE1' ' A' ' 98' ' ' MET . 16.5 t -93.11 134.88 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -149.34 132.18 16.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 74.6 p -63.11 160.06 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -109.33 -21.72 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.08 177.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.4 OUTLIER -93.32 175.46 6.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 54.53 41.56 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 5.6 m -87.75 128.09 35.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -99.94 145.21 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -146.85 168.74 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 39' ' ' MET . 2.2 p -140.86 140.07 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 6.3 m -114.62 123.49 49.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.62 130.7 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.73 136.99 57.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 119' ' ' TYR . 20.3 tt0 -50.03 -61.35 2.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -44.22 -51.06 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.35 -24.01 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.8 t80 -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 34.7 t90 -110.55 0.28 17.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -105.51 -12.08 16.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.41 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 89.5 mt -100.89 -53.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -58.68 5.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.487 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 12.2 m-80 -54.99 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -94.29 55.12 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.427 ' O ' ' C ' ' A' ' 127' ' ' GLU . 97.6 t -104.12 148.17 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 126' ' ' VAL . 44.7 mt-10 -36.03 103.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -80.84 96.0 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.1 t -123.05 108.8 13.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -39.32 100.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 168.5 21.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.302 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.3 t -92.87 147.2 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 31.9 t -137.42 135.08 36.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -72.82 -55.25 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -72.71 142.35 48.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.94 -109.98 0.28 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -78.78 -51.31 9.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.366 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -87.33 88.33 7.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.92 84.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -84.85 -53.39 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -113.63 43.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -47.41 -54.43 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.5 mm -44.85 -49.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.75 -49.57 77.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.12 -23.66 62.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -86.94 -39.79 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.78 -52.49 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.4 -34.33 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.437 ' CZ ' HD12 ' A' ' 21' ' ' LEU . 3.1 t80 -70.08 -54.75 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.54 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.8 mtp -50.94 -35.23 32.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.495 ' CD2' HH12 ' A' ' 32' ' ' ARG . 12.2 t-80 -58.17 -30.81 66.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -73.12 -48.18 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.437 HD12 ' CZ ' ' A' ' 17' ' ' PHE . 24.5 mt -62.48 140.35 96.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -38.35 7.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.36 -26.44 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.54 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 38.8 m-85 -103.27 -26.77 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.67 -50.3 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.407 ' ND2' ' HG3' ' A' ' 27' ' ' MET . 15.7 p-10 -41.16 -50.27 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.407 ' HG3' ' ND2' ' A' ' 26' ' ' ASN . 17.7 mtt -73.34 167.16 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -96.66 175.84 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.4 OUTLIER -51.25 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' MET . 1.4 t -37.78 -64.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.3 t -43.49 -52.83 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.495 HH12 ' CD2' ' A' ' 19' ' ' HIS . 85.7 mtt180 -53.53 -55.54 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -50.6 59.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -56.09 -41.38 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.7 mt -63.94 -46.54 84.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.92 -20.72 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -17.89 26.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.2 m -120.97 18.0 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.437 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 2.8 ptp -111.36 145.26 39.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.7 mt -100.17 147.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -103.57 115.36 30.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -125.71 148.3 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -138.73 113.78 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.46 123.23 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -93.63 -44.75 8.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.7 114.53 21.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.85 170.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.43 9.36 11.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.48 141.01 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . 0.522 ' CD1' ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -80.54 121.34 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.0 mm -90.81 -40.27 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HB2' ' CG2' ' A' ' 102' ' ' VAL . 78.1 mt -144.13 150.14 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -111.55 143.78 41.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 15.3 p-10 -60.44 126.37 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.41 25.97 41.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -106.05 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -39.53 106.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 11.5 mt -74.73 107.61 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -124.33 37.59 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.49 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 69.2 p -173.16 129.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TRP . . . . . 0.457 ' CZ2' HG23 ' A' ' 63' ' ' VAL . 25.6 t90 -79.45 143.11 35.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.497 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 48.2 m-85 -122.05 149.81 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.506 HG12 ' CE2' ' A' ' 24' ' ' PHE . 63.8 t -142.66 126.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.35 105.22 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.67 -42.63 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -152.05 148.96 28.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.87 -173.02 36.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.6 m -128.78 137.93 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.8 m -121.61 151.83 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -124.39 136.93 54.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.429 ' CD1' HD12 ' A' ' 81' ' ' LEU . 88.0 mt -110.51 137.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -114.34 121.25 43.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -96.48 147.44 32.95 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.631 0.729 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.23 34.95 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.741 2.294 . . . . 0.0 112.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.39 29.84 0.89 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.403 ' HB2' ' NZ ' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -122.52 149.33 44.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.4 t -130.06 109.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -81.98 146.72 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -123.41 110.2 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.429 HD12 ' CD1' ' A' ' 71' ' ' ILE . 16.0 mt -107.3 153.68 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -134.52 170.84 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.9 ttt -42.8 118.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.83 -31.06 5.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -72.44 162.59 29.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -134.18 146.26 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.5 p90 -151.77 156.5 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.72 -132.77 6.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.433 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 23.9 pt -88.47 -175.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.01 160.52 33.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.586 0.708 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.545 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.75 2.42 3.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 94' ' ' ASP . 30.1 p -103.69 135.47 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.52 HD22 ' CE3' ' A' ' 120' ' ' TRP . 15.3 mt -41.63 -26.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.1 m-20 -47.58 132.41 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -92.58 146.93 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -136.64 163.52 30.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.86 140.2 52.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.438 ' HE1' ' CG2' ' A' ' 102' ' ' VAL . 7.0 tpt -59.16 130.35 46.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -106.95 28.35 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -174.77 -156.65 14.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.81 120.18 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.438 ' CG2' ' HE1' ' A' ' 98' ' ' MET . 9.7 t -90.77 136.87 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -150.19 131.08 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 73.2 p -65.34 159.85 23.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -111.14 -24.11 10.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.17 -176.62 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.22 173.86 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.19 25.51 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.507 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.1 m -72.74 130.89 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -103.21 136.42 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.507 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 82.5 m-85 -141.28 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' VAL . . . . . 0.455 HG23 ' N ' ' A' ' 113' ' ' CYS . 7.7 p -141.98 140.33 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -113.49 140.2 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 26.7 mt -138.6 125.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.21 158.03 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.11 -54.5 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -48.49 -42.53 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -75.92 -26.23 56.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.545 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.8 t80 -80.05 -8.94 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TRP . . . . . 0.52 ' CE3' HD22 ' A' ' 93' ' ' LEU . 32.8 t90 -114.33 -10.55 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.415 ' C ' ' HD3' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -98.2 -21.92 16.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.2 mt -87.61 -54.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.54 -70.95 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -52.04 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -110.5 53.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.411 HG23 ' CZ2' ' A' ' 120' ' ' TRP . 54.2 t -68.76 141.31 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.92 147.47 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.18 41.88 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.2 p -54.36 168.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 92.01 120.75 2.67 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 132' ' ' SER . 54.0 Cg_endo -69.74 159.17 54.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' PRO . 40.5 t -35.58 121.63 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.9 t -89.81 111.1 22.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HA ' HD12 ' A' ' 15' ' ' LEU . 12.0 mm-40 -50.1 -56.5 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -50.88 -37.99 46.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.62 -36.35 62.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD21 ' HA ' ' A' ' 33' ' ' ARG . 50.3 mt -55.84 -50.54 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.72 -40.26 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 1.1 t80 -71.8 -38.17 70.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.535 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 30.3 mmm -54.88 -42.63 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 22.9 t60 -61.84 -38.56 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -51.78 -42.26 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.601 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 17.6 mt -79.8 142.6 56.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -46.1 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.723 2.282 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.44 64.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.743 ' CE2' HG11 ' A' ' 63' ' ' VAL . 13.1 m-85 -86.64 -9.69 55.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.46 -29.34 16.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -45.75 -28.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.18 149.32 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.734 HG22 HG23 ' A' ' 31' ' ' VAL . 6.8 t -50.63 169.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' ARG . 5.4 tpp -62.38 -55.72 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 m -37.95 -49.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.838 HG13 HG22 ' A' ' 122' ' ' ILE . 57.9 t -57.72 -39.46 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' MET . 52.4 mtt180 -61.04 -55.0 37.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.696 ' HA ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -55.48 -41.81 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 24.7 mt-10 -62.14 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HA ' HG22 ' A' ' 38' ' ' VAL . 14.7 mt -61.08 -41.34 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.29 -17.94 23.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 m -95.63 -9.96 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 35' ' ' LEU . 4.4 m -127.27 16.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.708 ' SD ' HG21 ' A' ' 112' ' ' VAL . 5.8 ptp -112.6 137.64 50.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 112' ' ' VAL . 16.3 mt -84.53 158.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . 44.7 m-85 -108.76 116.84 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -142.14 142.41 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -146.97 117.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 49' ' ' ALA . 99.5 t -76.74 128.06 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -93.78 -42.04 9.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -87.5 103.74 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' CG ' ' A' ' 107' ' ' ASP . . . -50.05 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.06 30.03 22.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -94.9 144.44 25.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -79.84 125.47 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.951 HD11 HG23 ' A' ' 104' ' ' THR . 3.6 mm -93.8 -39.91 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.9 mt -148.32 143.42 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 1.8 mp0 -103.42 160.21 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -74.87 128.31 35.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 30.59 14.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -109.71 126.91 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.34 95.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 88' ' ' GLY . 12.3 mt -67.21 115.28 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -122.22 -5.39 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.4 m -125.63 147.9 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -93.85 132.53 38.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 20.2 m-85 -112.63 142.67 44.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.743 HG11 ' CE2' ' A' ' 24' ' ' PHE . 86.2 t -138.05 124.88 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.33 106.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.39 -37.92 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -154.4 149.11 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.13 175.49 50.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 81' ' ' LEU . 30.9 m -112.94 144.9 41.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.8 m -126.66 132.84 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -105.55 136.54 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.605 ' O ' HG13 ' A' ' 78' ' ' VAL . 61.7 mt -113.0 139.68 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -120.72 140.66 51.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.39 151.9 44.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.4 29.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' GLY . 2.6 p30 -73.61 -37.44 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . 132.52 27.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -117.57 144.63 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 71' ' ' ILE . 39.8 t -132.86 111.08 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.42 158.79 23.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.15 107.85 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 68' ' ' THR . 14.7 mt -106.33 153.78 21.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' MET . 37.3 m-85 -132.62 163.56 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' PHE . 12.6 ttt -35.32 120.49 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.57 -36.61 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.67 165.09 6.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.5 p -132.63 153.36 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 27.8 p90 -161.76 157.32 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.557 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 131.94 -95.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 9.0 pt -134.21 168.27 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.33 159.52 33.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.504 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.83 2.92 3.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.3 p -100.03 136.38 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.723 HD21 ' CE3' ' A' ' 120' ' ' TRP . 94.8 mt -40.69 -32.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -51.06 124.91 12.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.66 172.99 11.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.7 162.32 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -121.0 134.49 55.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 tpt -60.25 129.39 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.52 39.2 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.34 -178.01 45.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 77.2 mt -116.7 125.78 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.1 t -97.99 141.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -150.91 130.85 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.951 HG23 HD11 ' A' ' 51' ' ' ILE . 74.1 p -60.15 155.49 17.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -104.54 -26.57 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.2 m -133.7 170.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.449 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -85.44 175.39 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 54.21 43.25 30.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 7.3 m -88.28 124.17 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -98.58 149.71 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 70.7 m-85 -153.52 174.07 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.708 HG21 ' SD ' ' A' ' 39' ' ' MET . 6.4 p -145.78 137.72 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -114.41 125.69 54.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.554 HD13 HD22 ' A' ' 35' ' ' LEU . 71.4 mt -125.41 128.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.98 147.01 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.34 -58.38 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -41.72 -60.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 -25.44 66.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.1 t80 -77.31 -19.01 57.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.99 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.723 ' CE3' HD21 ' A' ' 93' ' ' LEU . 48.0 t90 -109.43 1.62 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -103.81 -11.53 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.838 HG22 HG13 ' A' ' 31' ' ' VAL . 71.2 mt -103.37 -63.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.476 ' HG ' HG11 ' A' ' 31' ' ' VAL . 4.3 mp -55.12 -44.74 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.24 -175.94 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.2 m80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.319 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -52.95 -30.55 35.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -77.26 -24.32 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' PHE . 3.9 mt -84.61 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD21 ' CA ' ' A' ' 33' ' ' ARG . 64.1 mt -34.22 -58.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -45.11 -42.3 8.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.9 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.7 t80 -74.24 -38.08 63.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 24' ' ' PHE . 35.0 mtp -71.82 -11.97 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -84.9 -15.4 44.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -100.11 -2.41 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.9 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 40.1 mt -102.69 143.04 25.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -43.5 2.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.43 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 18' ' ' MET . 9.2 m-85 -101.73 -22.19 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.99 -32.15 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -46.45 -50.85 16.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.48 165.94 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.816 HG23 HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -74.27 157.25 36.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -46.82 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.4 p -45.16 -34.59 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG23 HG23 ' A' ' 28' ' ' THR . 89.4 t -69.78 -38.47 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.682 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.4 mtt180 -56.13 -67.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CA ' HD21 ' A' ' 15' ' ' LEU . 1.5 tmt_? -46.15 -40.39 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.42 -44.86 86.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 32' ' ' ARG . 14.1 mt -53.0 -51.99 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.419 ' SG ' HD13 ' A' ' 14' ' ' LEU . 2.1 t -44.9 -21.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' LEU . 4.9 t -69.61 -40.06 76.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.67 HG11 ' OD2' ' A' ' 118' ' ' ASP . 29.5 m -117.05 24.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.942 ' SD ' HD11 ' A' ' 114' ' ' ILE . 4.0 mmm -88.06 127.35 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.634 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 mm -86.32 160.96 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 40' ' ' ILE . 57.3 m-85 -124.31 110.71 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -137.47 142.22 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.684 HG22 ' HG2' ' A' ' 110' ' ' GLN . 90.4 t -140.72 125.99 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 49' ' ' ALA . 92.3 t -95.8 123.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -92.56 -38.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -81.41 115.55 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 172.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 54.65 22.35 24.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -79.75 139.39 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.069 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.729 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.7 mp -80.06 113.51 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.057 HD11 HG23 ' A' ' 104' ' ' THR . 3.1 mm -77.87 -41.56 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 32.5 mt -148.93 158.86 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -111.86 169.48 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -82.7 138.8 33.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.52 65.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -125.84 122.29 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -56.73 104.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' HB2' HG22 ' A' ' 89' ' ' ILE . 8.3 mt -79.69 121.41 25.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.49 23.59 8.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.592 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 45.1 p -157.81 118.31 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 26.2 t90 -71.79 133.06 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 60' ' ' SER . 44.4 m-85 -110.78 143.18 41.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 64.2 t -135.36 127.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.09 107.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.647 HD11 ' HB ' ' A' ' 112' ' ' VAL . 78.6 mt -93.57 -33.04 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.4 147.84 19.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.86 -178.72 51.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' LEU . 54.1 m -119.55 136.24 54.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.34 133.26 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -110.09 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.547 HG12 HG22 ' A' ' 102' ' ' VAL . 45.4 mt -107.75 138.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -119.9 133.34 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -106.19 146.26 32.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.88 37.28 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -78.13 -44.0 27.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.19 36.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -132.1 150.98 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 71' ' ' ILE . 48.3 t -135.71 109.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.56 139.47 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.69 115.84 25.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 85' ' ' ASN . 9.8 mt -106.74 159.23 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -139.52 171.03 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 20.0 ttt -39.3 119.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.542 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 119.0 -43.76 1.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.559 ' HB3' HD22 ' A' ' 81' ' ' LEU . 18.5 m120 -64.56 164.65 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -138.17 158.32 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 36.0 p90 -157.48 158.95 36.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 132.9 -105.65 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.3 pt -121.04 -179.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.43 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -107.92 159.43 30.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.553 0.692 . . . . 0.0 111.174 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 2.81 3.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' ASP . 77.5 p -91.95 133.15 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.536 HD21 ' CE3' ' A' ' 120' ' ' TRP . 47.1 mt -43.05 -23.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.2 m-20 -52.7 171.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -126.59 141.11 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.43 ' OE1' ' N ' ' A' ' 90' ' ' THR . 0.5 OUTLIER -127.36 157.2 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -121.86 125.46 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -44.79 134.65 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -110.96 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.87 -158.44 15.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.75 124.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.547 HG22 HG12 ' A' ' 71' ' ' ILE . 21.2 t -95.68 135.29 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -146.01 131.28 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.057 HG23 HD11 ' A' ' 51' ' ' ILE . 34.1 p -65.32 152.69 43.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -100.78 -24.93 14.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.7 m -134.61 178.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.01 167.84 10.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.3 t0 67.21 33.48 5.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 8.6 m -79.7 139.17 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.684 ' HG2' HG22 ' A' ' 43' ' ' VAL . 52.6 mt-30 -112.26 131.94 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 109' ' ' CYS . 51.9 m-85 -138.75 154.7 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.647 ' HB ' HD11 ' A' ' 65' ' ' LEU . 7.3 p -126.26 141.51 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.427 ' C ' HG13 ' A' ' 114' ' ' ILE . 94.3 m -116.22 150.13 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.942 HD11 ' SD ' ' A' ' 39' ' ' MET . 63.3 mt -146.11 125.41 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.97 137.99 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' TYR . 16.3 tt0 -49.94 -64.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -40.22 -58.27 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.67 ' OD2' HG11 ' A' ' 38' ' ' VAL . 2.3 m-20 -61.25 -26.81 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.4 t80 -75.35 -26.99 59.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 64.3 t90 -101.44 6.61 42.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -100.37 -22.26 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.595 ' CG2' HG13 ' A' ' 31' ' ' VAL . 55.2 mt -96.56 -71.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 123' ' ' LEU . 5.1 mp -44.2 -43.71 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.438 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.5 m120 -74.87 -175.06 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -64.17 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.38 -23.01 35.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' SG ' ' A' ' 36' ' ' CYS . 33.2 tp -86.41 -52.0 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -43.92 -58.18 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -40.59 -35.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -80.5 -41.8 23.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.524 ' HG2' ' CG ' ' A' ' 24' ' ' PHE . 21.9 mtp -65.96 -12.45 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -82.71 -42.41 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' PHE . 9.0 pt20 -66.64 -25.42 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.587 HD22 ' HA2' ' A' ' 84' ' ' GLY . 7.5 mt -79.72 141.05 55.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -50.95 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.91 -38.3 67.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 23.6 m-85 -82.6 -28.71 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.78 -30.87 61.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -41.0 -38.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.62 -176.83 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 30' ' ' SER . 10.2 t -89.76 -178.68 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.1 mtp -74.27 -15.21 60.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.634 ' H ' HG23 ' A' ' 28' ' ' THR . 6.3 t -74.62 -28.94 61.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG13 HG22 ' A' ' 122' ' ' ILE . 77.6 t -82.23 -40.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -45.07 -46.75 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' 122' ' ' ILE . 35.4 mm-40 -57.67 -43.21 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.814 HD22 HD13 ' A' ' 114' ' ' ILE . 20.8 mt -62.13 -49.64 75.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 14' ' ' LEU . 32.5 t -48.01 -20.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -72.46 -36.43 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 118' ' ' ASP . 21.2 m -116.54 25.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.486 ' HE1' ' HE3' ' A' ' 18' ' ' MET . 10.6 mtt -88.86 134.8 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.687 HD12 ' HB3' ' A' ' 113' ' ' CYS . 6.1 mt -103.14 134.06 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -96.4 120.54 36.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -141.07 143.53 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.567 HG22 ' HG2' ' A' ' 110' ' ' GLN . 59.8 t -133.46 134.49 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.65 123.96 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -94.87 -44.41 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 42.2 mt-30 -74.62 100.36 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.0 164.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.15 20.14 53.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 46' ' ' GLN . . . -74.5 149.17 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -85.44 119.93 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.947 HD11 HG23 ' A' ' 104' ' ' THR . 3.3 mm -84.81 -41.77 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 51' ' ' ILE . 45.9 mt -146.16 158.5 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -117.13 150.11 39.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.72 121.85 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 16.49 43.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -94.65 114.41 26.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.05 92.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 89' ' ' ILE . 16.9 mt -62.44 128.73 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -133.51 12.07 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 m -149.02 139.55 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.651 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 25.1 t90 -85.33 134.73 34.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -118.02 137.41 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.49 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 60.4 t -133.22 125.62 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.4 HD11 ' CG2' ' A' ' 69' ' ' VAL . 20.0 mt -66.55 117.69 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' HB ' ' A' ' 112' ' ' VAL . 67.6 mt -98.22 -35.88 10.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -156.51 143.82 19.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.73 -173.05 30.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.6 m -128.95 134.7 48.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG12 HG22 ' A' ' 104' ' ' THR . 16.2 m -120.62 140.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -111.67 147.48 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.67 HD11 HD11 ' A' ' 81' ' ' LEU . 45.7 mt -126.0 143.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -128.98 134.36 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -100.99 148.44 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.89 33.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.34 -44.71 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.21 41.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -133.42 159.79 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.891 0.377 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 71' ' ' ILE . 58.5 t -144.24 117.11 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -91.56 154.72 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.83 109.26 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.67 HD11 HD11 ' A' ' 71' ' ' ILE . 6.5 mt -103.76 158.19 16.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 83' ' ' MET . 63.2 m-85 -140.37 164.74 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.5 ttt -37.68 118.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.587 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 117.31 -33.14 5.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB3' HD22 ' A' ' 81' ' ' LEU . 5.2 m120 -61.41 -179.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.8 p -152.08 148.36 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -158.63 148.63 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.07 -115.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.527 HG23 ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -109.91 -175.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.22 158.96 33.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 2.65 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 146.5 23.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.608 HD21 ' CE3' ' A' ' 120' ' ' TRP . 9.7 mt -52.0 -24.73 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.59 136.13 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -138.22 144.33 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.78 141.82 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.06 147.32 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.31 15.01 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.46 -158.35 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.0 mt -131.84 127.6 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.01 135.07 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -146.75 130.82 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.947 HG23 HD11 ' A' ' 51' ' ' ILE . 27.2 p -61.01 163.2 6.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -111.61 -25.02 9.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 m -134.68 -176.33 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.84 -178.73 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.05 30.19 9.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.7 m -79.17 117.32 20.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.567 ' HG2' HG22 ' A' ' 43' ' ' VAL . 71.4 mt-30 -95.03 141.97 28.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.6 m-85 -143.47 160.18 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.587 ' HB ' HD11 ' A' ' 65' ' ' LEU . 8.5 p -126.49 145.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.687 ' HB3' HD12 ' A' ' 40' ' ' ILE . 1.8 t -119.36 143.75 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.814 HD13 HD22 ' A' ' 35' ' ' LEU . 56.2 mt -145.91 120.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.26 154.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.41 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.41 -59.75 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.871 ' HB3' HG21 ' A' ' 38' ' ' VAL . 71.1 m-20 -55.69 -31.62 62.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.651 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 6.4 t80 -75.97 -15.98 60.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.608 ' CE3' HD21 ' A' ' 93' ' ' LEU . 43.8 t90 -110.27 1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -105.19 4.76 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.455 HG22 HG13 ' A' ' 31' ' ' VAL . 29.1 mt -122.68 -54.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.26 -31.69 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.587 ' OD1' ' CD1' ' A' ' 120' ' ' TRP . 3.4 m-80 -75.9 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.8 m170 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.479 HG21 ' HG2' ' A' ' 33' ' ' ARG . 48.3 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.8 0.333 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -38.19 -56.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -52.25 -40.29 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' ILE . 32.4 tp -69.02 -44.1 73.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 33' ' ' ARG . 84.1 mt -50.32 -45.23 54.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.4 -47.91 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.0 t80 -60.14 -57.98 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.566 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 13.7 mtp -44.25 -40.28 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -52.78 -38.48 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.66 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 16.4 mt -65.64 138.94 96.89 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.553 0.692 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.0 4.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.9 -20.02 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 4.5 m-85 -99.64 -36.56 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.88 -30.67 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -41.57 -35.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.89 164.09 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 t -79.73 156.49 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' SER . 4.1 mmt -38.03 -54.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' MET . 53.0 m -35.66 -64.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 54.2 t -46.71 -54.09 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' LEU . 73.1 mtt180 -48.16 -72.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HA ' HD21 ' A' ' 15' ' ' LEU . 1.2 tmt_? -38.38 -47.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.55 -43.48 84.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.937 HD22 HD13 ' A' ' 114' ' ' ILE . 12.1 mt -61.6 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.63 -18.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -71.63 -33.2 68.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 118' ' ' ASP . 18.4 m -120.9 24.16 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.43 ' HE1' ' HE3' ' A' ' 18' ' ' MET . 5.1 mtt -82.6 127.91 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 112' ' ' VAL . 87.7 mt -93.65 146.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.14 122.28 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -139.44 149.94 44.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.0 t -149.27 126.81 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.29 124.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.4 -43.72 10.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -87.28 120.34 28.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 173.19 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.39 11.36 20.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 140.38 45.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -77.51 129.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.129 HD11 HG23 ' A' ' 104' ' ' THR . 2.7 mm -96.41 -38.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.4 mt -151.27 128.42 11.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.96 153.43 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.95 135.02 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.86 31.78 38.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.41 113.16 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.59 101.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.638 ' HB2' HG22 ' A' ' 89' ' ' ILE . 3.8 mt -75.14 130.67 39.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 14.21 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.7 m -147.6 139.56 24.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.481 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 26.1 t90 -85.62 137.27 32.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 28.5 m-85 -113.73 149.72 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 94.3 t -147.84 116.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 85' ' ' ASN . 17.4 mt -57.19 116.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 ' HB ' ' A' ' 112' ' ' VAL . 93.0 mt -97.19 -28.37 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -166.14 144.95 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.76 -158.29 23.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 81' ' ' LEU . 88.1 m -141.45 140.35 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -123.07 131.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -104.23 131.4 51.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.735 ' O ' HG13 ' A' ' 78' ' ' VAL . 62.6 mt -108.24 143.39 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -129.64 140.66 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -113.21 149.88 42.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.37 34.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.84 -41.71 20.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.73 32.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -125.49 148.79 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 71' ' ' ILE . 38.3 t -136.88 107.01 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.3 165.19 24.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -138.74 115.18 10.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 71' ' ' ILE . 14.8 mt -113.23 154.29 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -137.53 171.34 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.1 ttt -42.71 114.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 123.04 -35.2 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.488 ' HB2' HD12 ' A' ' 64' ' ' ILE . 7.0 m120 -61.29 174.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.3 p -144.7 138.18 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -146.44 162.68 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.92 -118.2 2.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 58' ' ' LEU . 9.9 pt -113.11 172.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -93.36 156.86 39.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.1 Cg_endo -69.75 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.355 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.7 p -98.22 135.34 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.492 HD21 ' CE3' ' A' ' 120' ' ' TRP . 35.8 mt -40.14 -34.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.502 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 34.5 m-20 -46.19 146.92 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -103.45 156.25 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 2.7 mp0 -138.29 173.15 11.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -130.58 131.49 45.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.4 tpt -49.31 104.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -82.35 40.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.11 38.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.1 mt -125.04 133.2 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.3 t -107.87 136.25 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -142.49 130.96 22.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.129 HG23 HD11 ' A' ' 51' ' ' ILE . 36.8 p -57.77 161.38 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.15 -26.18 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.51 176.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -94.51 173.54 7.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.34 28.4 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 17.7 m -76.82 131.26 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.2 140.67 37.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.8 m-85 -146.27 155.99 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' A' ' 65' ' ' LEU . 13.4 p -125.71 149.82 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.501 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 3.3 m -128.44 137.56 51.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.937 HD13 HD22 ' A' ' 35' ' ' LEU . 42.4 mt -135.39 120.12 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.6 147.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.03 -57.53 12.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -46.12 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.592 ' HB3' HG21 ' A' ' 38' ' ' VAL . 60.7 m-20 -54.74 -35.83 64.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 14.2 t80 -68.83 -19.7 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.538 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 21.3 t90 -110.52 0.42 17.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -103.06 1.54 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 57.0 mt -115.86 -56.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.15 -49.22 72.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.423 ' CG ' ' CD1' ' A' ' 120' ' ' TRP . 11.6 m120 -63.66 177.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.9 m80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.41 -40.34 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -73.64 -38.18 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.2 mt -67.48 -62.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HB3' ' HE1' ' A' ' 29' ' ' MET . 70.2 mt -34.36 -61.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.723 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 8.4 t80 -65.14 -61.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.51 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 16.2 mtp -41.25 -30.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.469 ' CG ' HH12 ' A' ' 32' ' ' ARG . 18.5 t-80 -63.88 -43.52 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -58.12 -42.22 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.723 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 7.3 mt -72.63 138.91 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -46.3 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -35.29 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 7.0 m-85 -84.43 -20.21 32.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.82 -28.26 40.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -47.43 -40.92 19.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.96 -177.25 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.821 HG22 HG23 ' A' ' 31' ' ' VAL . 6.0 t -94.69 145.37 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.508 ' HE1' ' HB3' ' A' ' 15' ' ' LEU . 11.2 tpt -36.73 -43.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -53.33 -57.78 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.821 HG23 HG22 ' A' ' 28' ' ' THR . 93.8 t -48.35 -41.73 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 84.0 mtt180 -48.6 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -39.9 -53.26 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' HB2' HG21 ' A' ' 122' ' ' ILE . 63.2 mm-40 -47.61 -40.19 18.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.785 HD22 HD13 ' A' ' 114' ' ' ILE . 22.8 mt -67.9 -47.14 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -49.5 -26.33 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -74.73 -32.96 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.64 17.13 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' HD11 ' A' ' 114' ' ' ILE . 9.0 mtt -81.38 129.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 112' ' ' VAL . 51.0 mt -94.56 143.74 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -99.26 120.36 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -142.07 137.43 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -139.26 137.15 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG11 ' HB3' ' A' ' 49' ' ' ALA . 52.6 t -102.81 123.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.87 -42.17 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.32 125.39 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 170.38 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 60.45 12.54 26.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -67.11 138.38 57.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.301 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.725 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -78.37 119.21 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 104' ' ' THR . 1.9 mm -84.85 -42.14 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.7 mt -148.16 128.09 13.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.49 146.66 23.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 8.9 p-10 -59.0 106.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.42 23.35 6.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' LEU . 63.4 tt0 -99.26 105.82 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -44.46 95.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 88' ' ' GLY . 3.3 mt -68.65 119.78 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.66 -5.21 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 m -127.89 143.31 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -87.17 125.43 34.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.61 134.93 49.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.37 127.28 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mt -62.92 112.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.1 mt -89.52 -43.83 10.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -154.09 130.09 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.43 -166.79 12.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.3 m -128.83 148.24 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.09 138.04 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -111.44 141.15 45.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.446 HD11 ' CD1' ' A' ' 81' ' ' LEU . 37.2 mt -115.77 134.29 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -120.65 140.5 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -110.81 151.21 42.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -16.76 37.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.69 -46.36 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 32.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -128.55 151.04 49.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 71' ' ' ILE . 39.0 t -137.16 117.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -88.02 170.34 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.68 112.28 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.997 HD22 ' ND2' ' A' ' 85' ' ' ASN . 19.4 mt -111.77 153.13 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -133.0 170.97 14.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 21.1 ttt -41.48 113.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.48 -34.06 2.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.997 ' ND2' HD22 ' A' ' 81' ' ' LEU . 8.8 t-20 -63.91 175.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.5 p -147.41 145.14 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -162.14 149.66 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.617 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 145.94 -87.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG22 ' HB2' ' A' ' 58' ' ' LEU . 6.8 pt -140.67 164.67 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 59.9 p -86.67 151.84 53.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.77 2.77 3.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' ASP . 12.3 p -99.72 138.3 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 11.0 mt -36.97 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.1 m-20 -53.48 143.31 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 32.6 mtpt -94.29 -175.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.541 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -169.9 160.93 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -121.89 153.76 38.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -72.15 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.407 ' N ' ' SD ' ' A' ' 98' ' ' MET . 4.5 m-70 -95.83 46.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 166.75 -159.16 32.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -135.16 118.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.0 t -93.47 141.19 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.403 HH21 ' CA ' ' A' ' 48' ' ' GLY . 9.4 mtp180 -149.8 135.22 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.872 HG23 HD11 ' A' ' 51' ' ' ILE . 18.1 p -64.53 161.4 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -112.43 -13.37 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.48 -179.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.23 162.36 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t70 64.87 48.16 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.0 m -95.62 132.7 40.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -97.55 140.51 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 94.8 m-85 -144.02 162.15 36.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.8 p -134.45 142.83 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.89 129.57 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.785 HD13 HD22 ' A' ' 35' ' ' LEU . 53.2 mt -126.25 120.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.55 145.59 6.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -55.1 -65.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -38.06 -68.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -49.97 -32.97 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.6 t80 -71.1 -34.74 71.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.589 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 23.2 t90 -95.32 -0.69 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -99.3 -2.83 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.754 HG22 HG13 ' A' ' 31' ' ' VAL . 76.5 mt -111.54 -50.55 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -69.53 -25.02 63.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.589 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 8.0 m120 -91.9 -175.34 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.443 HD13 ' SG ' ' A' ' 36' ' ' CYS . 5.4 mm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.29 -41.5 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -18.01 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 7.6 tp -93.72 -40.72 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.471 HD22 ' SD ' ' A' ' 29' ' ' MET . 19.2 mt -60.21 -55.3 35.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -42.35 -36.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.5 t80 -69.83 -52.12 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.481 ' HE2' ' HB3' ' A' ' 32' ' ' ARG . 53.5 mtp -51.88 -28.54 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.2 -29.2 68.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -69.54 -45.57 68.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 35.5 mt -70.89 140.27 86.1 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 -39.28 6.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -21.04 63.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CZ ' ' HE1' ' A' ' 39' ' ' MET . 9.2 m-85 -102.42 -40.13 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.65 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -49.03 -33.59 11.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.18 166.9 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -74.73 178.73 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.189 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.471 ' SD ' HD22 ' A' ' 15' ' ' LEU . 6.5 tpp -64.0 -54.29 36.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -38.53 -59.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 t -50.14 -45.09 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 71.8 mtt180 -57.77 -63.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -51.6 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE1' ' CA ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -54.26 -49.87 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 114' ' ' ILE . 20.2 mt -51.02 -49.73 59.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 9.3 t -47.19 -24.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -68.38 -39.33 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.519 HG23 HG23 ' A' ' 114' ' ' ILE . 32.1 m -110.92 23.47 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.565 ' HE1' ' CZ ' ' A' ' 24' ' ' PHE . 9.6 mtt -87.55 121.16 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 40' ' ' ILE . 4.9 mm -89.64 148.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -108.87 109.8 20.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -140.89 137.71 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.83 140.43 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' HB3' ' A' ' 49' ' ' ALA . 85.3 t -97.31 122.63 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.42 -39.2 19.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -90.21 119.09 30.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.11 170.28 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.32 49.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.668 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -76.31 144.9 39.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.708 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -82.49 123.44 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 104' ' ' THR . 3.4 mm -92.32 -40.35 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.2 mt -146.3 151.9 38.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -111.31 143.86 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 2.8 p-10 -64.18 110.03 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.29 7.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -104.11 119.39 38.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.74 100.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.568 ' HB2' HG22 ' A' ' 89' ' ' ILE . 3.9 mt -72.49 123.33 22.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -132.54 20.11 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -153.3 134.47 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.531 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 23.7 t90 -81.08 134.06 35.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 36.1 m-85 -112.66 143.52 43.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 87.7 t -140.21 118.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -58.31 113.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -89.25 -42.58 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -155.53 133.81 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.3 -178.93 24.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 81' ' ' LEU . 94.4 m -120.43 133.02 55.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 111' ' ' PHE . 27.9 m -113.81 139.07 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.93 136.77 52.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 78' ' ' VAL . 25.0 mt -115.26 142.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.7 m -128.63 136.42 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -106.99 152.03 40.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.11 37.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.95 -46.81 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.58 32.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.459 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -125.16 150.8 46.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 71' ' ' ILE . 61.8 t -135.99 110.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -87.71 142.04 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.64 115.42 23.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 16.1 mt -109.8 155.95 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.46 167.5 20.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.9 ttt -41.72 118.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 120.34 -32.11 5.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -66.76 167.43 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -133.51 149.41 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 5.9 p90 -162.41 154.65 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 138.19 -102.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.568 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.3 pt -127.97 177.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.8 p -95.69 152.37 39.08 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.1 Cg_endo -69.76 2.4 3.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 48.9 p -96.08 152.03 18.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.528 HD21 ' CE3' ' A' ' 120' ' ' TRP . 8.5 mt -51.44 -21.83 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.74 162.81 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -116.93 -175.66 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.3 159.96 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.96 147.0 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.78 120.85 13.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.82 40.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 167.85 -163.0 36.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.75 129.52 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.437 HG22 HG12 ' A' ' 71' ' ' ILE . 11.6 t -101.78 142.47 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -151.99 130.87 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.872 HG23 HD11 ' A' ' 51' ' ' ILE . 67.7 p -59.6 156.2 13.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -103.54 -25.37 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.04 177.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 178.69 6.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 50.75 45.63 26.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.8 m -94.76 119.34 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -95.07 143.06 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 90.0 m-85 -144.12 151.85 40.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 10.6 p -121.06 147.19 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.438 ' C ' HG13 ' A' ' 114' ' ' ILE . 98.6 m -124.23 149.38 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.747 HD13 HD22 ' A' ' 35' ' ' LEU . 62.3 mt -146.42 124.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.49 145.86 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 119' ' ' TYR . 4.3 tt0 -65.21 -64.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -41.6 -34.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 20.1 m-20 -87.84 -28.6 21.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.531 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 16.7 t80 -74.16 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.528 ' CE3' HD21 ' A' ' 93' ' ' LEU . 23.8 t90 -109.52 -11.23 14.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 118' ' ' ASP . 2.9 ptp180 -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.76 -62.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.77 -64.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -54.34 -175.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.1 m170 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.887 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.758 0.313 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -65.85 -39.42 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -33.53 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' SG ' ' A' ' 36' ' ' CYS . 14.0 tp -73.95 -42.44 60.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.7 mt -59.58 -64.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 5.5 pt-20 -36.09 -37.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -73.33 -55.32 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.5 mtp -46.23 -44.61 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -54.27 -34.01 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -63.46 -48.2 78.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 23.4 mt -67.75 143.05 96.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -42.89 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.27 -36.43 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.08 -40.03 11.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.54 -33.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -54.19 -48.71 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 167.97 13.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 HG23 ' A' ' 31' ' ' VAL . 8.4 t -92.41 149.98 21.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -34.2 -60.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.7 m -41.25 -64.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 28' ' ' THR . 42.8 t -40.83 -58.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' VAL . 54.8 mtt180 -36.96 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.58 -54.46 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -49.23 -51.13 35.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.687 HD22 HD13 ' A' ' 114' ' ' ILE . 10.2 mt -50.67 -50.15 55.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' SG ' HD23 ' A' ' 14' ' ' LEU . 50.8 t -50.35 -28.23 7.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.8 t -68.11 -30.08 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 118' ' ' ASP . 27.9 m -120.84 25.26 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.471 ' SD ' HG21 ' A' ' 112' ' ' VAL . 7.5 mtt -89.55 153.84 20.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.672 HD12 ' HB2' ' A' ' 113' ' ' CYS . 62.8 mt -114.61 145.55 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.08 115.98 31.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -137.85 139.07 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 110' ' ' GLN . 49.4 t -137.69 125.44 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 49' ' ' ALA . 60.4 t -91.2 123.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -94.72 -44.05 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -83.3 104.8 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.13 166.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 62.31 18.41 58.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -76.68 140.85 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.723 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -75.96 122.17 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 104' ' ' THR . 4.5 mm -86.47 -37.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 48.7 mt -153.76 146.7 24.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -99.86 149.36 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 1.2 p-10 -70.35 121.39 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.1 41.64 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -125.79 108.57 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 39.2 tt0 -38.49 109.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.3 mt -80.31 121.19 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -128.71 31.11 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.8 p -166.5 136.53 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.421 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 24.8 t90 -85.89 141.71 29.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.3 m-85 -119.13 142.45 47.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.421 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 95.4 t -137.67 129.31 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.7 mt -69.56 116.82 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 112' ' ' VAL . 23.6 mt -98.84 -33.91 10.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -161.82 132.89 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.84 -178.0 25.73 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -122.35 133.35 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.145 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.39 146.73 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -117.25 136.65 52.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.702 ' O ' HG13 ' A' ' 78' ' ' VAL . 44.6 mt -119.5 137.81 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -129.18 136.9 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -107.02 152.47 41.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.806 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.54 37.48 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -44.41 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.79 33.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -127.69 150.03 49.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 71' ' ' ILE . 60.1 t -136.73 118.61 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.87 166.69 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.5 113.36 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 85' ' ' ASN . 7.4 mt -110.08 156.53 20.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' MET . 55.3 m-85 -138.11 163.86 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 ttt -35.03 120.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.406 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . 117.25 -43.0 1.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.451 ' HB3' HD22 ' A' ' 81' ' ' LEU . 10.0 m120 -52.49 179.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.2 p -151.79 148.21 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 42.5 p90 -153.36 157.3 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.76 -111.88 1.07 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.7 pt -117.0 -175.76 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.481 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -105.02 157.96 33.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ASP . 19.4 p -105.01 137.95 41.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.515 HD21 ' CE3' ' A' ' 120' ' ' TRP . 92.7 mt -36.42 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.497 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 77.5 m-20 -40.86 147.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -110.18 142.71 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 1.4 mp0 -134.11 150.56 51.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 3.1 m-85 -117.72 147.31 43.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 tpt -71.19 140.73 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -121.66 21.15 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -158.47 -161.92 11.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.408 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 95.9 mt -130.67 130.7 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.7 t -104.91 142.02 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.408 HH21 ' CA ' ' A' ' 48' ' ' GLY . 8.2 mtp180 -153.47 132.87 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.0 HG23 HD11 ' A' ' 51' ' ' ILE . 28.8 p -64.61 151.45 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -100.01 -19.13 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.84 -178.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.1 163.73 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 63.77 47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.1 m -94.68 145.32 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 43' ' ' VAL . 77.4 mt-30 -112.34 140.3 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -147.97 153.34 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.5 p -123.52 144.53 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.672 ' HB2' HD12 ' A' ' 40' ' ' ILE . 80.5 m -122.84 136.44 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.687 HD13 HD22 ' A' ' 35' ' ' LEU . 50.6 mt -133.99 125.38 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.35 142.23 32.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 92' ' ' THR . 2.6 tp60 -52.73 -66.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -38.74 -58.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.531 ' HB3' HG21 ' A' ' 38' ' ' VAL . 67.2 m-20 -59.12 -38.67 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.4 t80 -63.7 -21.91 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.593 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 14.5 t90 -107.29 -0.24 22.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -97.58 -0.3 46.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 60.8 mt -116.96 -62.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.37 -39.09 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.593 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 11.3 m120 -72.82 175.55 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.4 m170 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.73 -60.03 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.97 -37.64 53.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.62 -45.93 77.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.55 HD11 ' CG ' ' A' ' 33' ' ' ARG . 84.5 mt -50.31 -53.32 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -38.76 -45.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.8 t80 -67.11 -44.91 78.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' PHE . 19.1 mmm -53.49 -14.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -86.21 -39.53 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.97 -7.27 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.85 HD22 ' HA2' ' A' ' 84' ' ' GLY . 30.3 mt -104.15 138.21 19.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.67 0.748 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.57 3.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.721 ' HD2' HD12 ' A' ' 21' ' ' LEU . 13.8 m-85 -95.53 -30.95 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.18 -39.29 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -38.43 -43.96 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.79 157.32 16.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 29' ' ' MET . 1.6 t -51.91 175.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' ' 29' ' ' MET . 2.3 ppp? -79.36 -16.81 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -68.47 -43.79 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 t -61.05 -23.0 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 29' ' ' MET . 86.3 mtt180 -69.15 -67.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.55 ' CG ' HD11 ' A' ' 15' ' ' LEU . 57.3 mtm180 -38.24 -53.85 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.64 -50.84 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.756 HD22 HD13 ' A' ' 114' ' ' ILE . 38.6 mt -56.84 -48.44 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 m -49.94 -21.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t -92.54 -25.5 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.754 HG22 ' HA ' ' A' ' 35' ' ' LEU . 10.2 m -109.42 8.57 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.504 ' HE2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -107.57 130.22 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.5 mp -88.72 137.75 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.33 122.22 33.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -143.29 155.79 44.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 109' ' ' CYS . 3.6 p -153.64 131.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 49' ' ' ALA . 94.9 t -91.52 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.79 -40.88 15.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -86.0 120.7 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 177.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.16 18.7 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -75.42 140.49 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.8 mp -78.56 124.72 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.885 HD11 HG23 ' A' ' 104' ' ' THR . 2.5 mm -93.56 -37.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD13 HD21 ' A' ' 58' ' ' LEU . 24.9 mt -151.55 152.66 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -113.64 159.79 19.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -72.03 125.22 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.82 29.12 12.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -110.35 119.51 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.02 94.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 88' ' ' GLY . 8.7 mt -65.5 126.87 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.74 8.12 4.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.548 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 4.9 m -140.9 124.73 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.3 t90 -76.1 127.71 33.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 60' ' ' SER . 16.0 m-85 -105.31 146.15 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 24' ' ' PHE . 70.4 t -138.01 126.62 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 85' ' ' ASN . 37.6 mt -67.94 111.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.487 HD11 ' HB ' ' A' ' 112' ' ' VAL . 76.5 mt -94.41 -30.68 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -163.08 140.04 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.9 -173.29 30.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.2 m -127.29 138.49 53.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -122.29 133.38 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -107.59 132.35 53.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 78' ' ' VAL . 31.3 mt -109.32 129.65 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -111.7 143.31 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -116.02 144.32 32.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.44 37.06 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -74.92 -47.92 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.18 33.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -131.77 157.24 44.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 71' ' ' ILE . 23.0 t -144.59 111.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.78 114.3 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 68' ' ' THR . 15.9 mt -108.04 153.97 22.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -130.04 165.99 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.0 ttt -38.65 120.56 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.85 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 117.91 -40.94 2.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.423 ' HB2' HD12 ' A' ' 64' ' ' ILE . 6.5 m120 -59.98 160.68 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.7 p -127.59 160.22 32.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -170.26 159.48 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.86 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 134.77 -81.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.553 HG23 ' HB3' ' A' ' 58' ' ' LEU . 5.1 pt -142.35 -178.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.1 p -101.12 152.58 37.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.78 3.38 2.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.496 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 12.3 p -99.16 137.58 37.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.524 HD21 ' CE3' ' A' ' 120' ' ' TRP . 39.9 mt -36.82 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.0 t70 -52.24 163.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 21.6 mttt -113.95 162.41 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.457 ' CD ' ' C ' ' A' ' 95' ' ' LYS . 3.6 mp0 -136.16 147.79 47.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -112.68 133.65 54.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.5 tpt -65.41 124.25 21.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -109.93 38.43 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 179.07 -161.46 27.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.7 mt -130.42 127.33 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.508 HG12 ' CG1' ' A' ' 51' ' ' ILE . 40.7 t -98.62 132.58 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -146.76 130.93 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.885 HG23 HD11 ' A' ' 51' ' ' ILE . 49.0 p -61.17 162.67 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -108.59 -28.15 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.45 178.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 176.01 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 60.21 26.8 16.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 43' ' ' VAL . 33.0 m -78.4 128.06 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' ' 111' ' ' PHE . 39.4 mt-30 -103.21 155.27 18.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 110' ' ' GLN . 74.4 m-85 -156.94 166.73 32.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.487 ' HB ' HD11 ' A' ' 65' ' ' LEU . 3.5 p -138.78 142.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.51 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.7 m -115.13 143.63 44.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.756 HD13 HD22 ' A' ' 35' ' ' LEU . 76.9 mt -143.76 124.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.17 142.74 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 92' ' ' THR . 26.3 tp60 -52.53 -59.74 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -51.12 -56.02 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -23.01 52.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.8 t80 -82.4 -28.77 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 25.5 t90 -100.39 1.11 41.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -97.1 -5.42 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 66.2 mt -112.32 -56.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.84 -32.85 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.461 ' OD1' ' CD1' ' A' ' 120' ' ' TRP . 9.7 m120 -87.92 -174.99 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.792 0.329 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -45.79 -48.93 15.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.38 -46.46 88.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.8 -57.91 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.523 HD22 ' CE ' ' A' ' 29' ' ' MET . 95.8 mt -42.16 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -39.69 -28.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.747 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -89.4 -36.01 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' LEU . 16.7 mtp -62.11 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -43.54 -40.35 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.57 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 6.5 mm-40 -51.7 -46.45 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD22 ' HA2' ' A' ' 84' ' ' GLY . 14.7 mt -76.55 143.52 72.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.99 15.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.03 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.37 -41.56 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.7 -32.31 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -49.2 -42.78 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.509 ' HB3' HG11 ' A' ' 31' ' ' VAL . 3.4 mtt -81.85 160.52 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' MET . 15.2 t -88.08 160.55 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.603 ' HE3' ' HD2' ' A' ' 32' ' ' ARG . 5.8 tpt -34.36 -68.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' MET . 65.6 m -36.49 -68.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 122' ' ' ILE . 59.2 t -40.61 -56.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.603 ' HD2' ' HE3' ' A' ' 29' ' ' MET . 90.4 mtt180 -42.56 -52.54 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 ttt-85 -61.98 -57.97 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -40.1 -42.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD22 HD13 ' A' ' 114' ' ' ILE . 10.5 mt -64.5 -45.68 86.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.3 -27.19 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -68.72 -35.3 76.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.662 HG11 ' OD2' ' A' ' 118' ' ' ASP . 22.5 m -112.46 21.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE2' HD11 ' A' ' 114' ' ' ILE . 7.2 mtt -88.47 110.79 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -82.55 145.5 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -98.09 123.39 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -142.11 136.74 30.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.8 t -140.04 147.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG11 ' HB3' ' A' ' 49' ' ' ALA . 44.2 t -112.5 127.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -94.63 -42.29 8.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 42.8 mt-30 -83.85 108.77 17.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.84 178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.16 18.65 2.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -75.5 142.86 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 50' ' ' ILE . 2.3 mp -80.28 119.45 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 HG23 ' A' ' 104' ' ' THR . 4.8 mm -86.89 -38.51 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.443 HD13 HD21 ' A' ' 58' ' ' LEU . 28.2 mt -152.64 133.31 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -89.91 155.36 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 128.23 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 18.52 58.29 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -88.71 115.72 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.48 88.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 89' ' ' ILE . 19.1 mt -55.18 118.68 4.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.524 ' O ' HD13 ' A' ' 89' ' ' ILE . 10.2 t70 -118.83 -22.56 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.404 ' C ' HG12 ' A' ' 89' ' ' ILE . 15.8 m -116.74 148.56 41.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -90.06 133.22 34.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 54.4 m-85 -116.67 132.41 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.421 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 84.7 t -129.49 117.76 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.4 mt -54.0 104.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.748 HD11 ' HB ' ' A' ' 112' ' ' VAL . 68.8 mt -82.8 -35.38 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -164.22 141.43 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.47 -166.86 19.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.0 m -133.14 138.08 46.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.94 134.92 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -105.41 133.76 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.696 ' O ' HG13 ' A' ' 78' ' ' VAL . 84.2 mt -111.13 135.94 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -121.55 132.36 54.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -102.54 147.69 34.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.14 36.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -76.9 -45.36 28.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.27 32.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -129.51 145.35 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 71' ' ' ILE . 46.5 t -127.4 125.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.47 136.75 40.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.91 116.41 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -106.64 165.38 11.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -146.32 167.2 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.1 ttt -44.07 115.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.758 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 126.05 -32.78 3.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.45 174.8 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 p -146.61 139.6 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.49 148.95 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.57 -127.27 3.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 59' ' ' ASP . 11.2 pt -94.55 179.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 160.6 27.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.48 3.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.5 p -101.98 138.2 39.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.675 HD21 ' CE3' ' A' ' 120' ' ' TRP . 14.7 mt -42.92 -26.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.41 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 83.5 m-20 -51.34 157.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -101.84 173.8 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 2.1 mp0 -148.52 165.44 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -135.78 129.77 33.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.1 tpt -59.33 113.61 2.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.24 35.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.37 -174.93 43.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.0 mt -112.68 135.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 71' ' ' ILE . 24.1 t -108.18 137.08 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -147.35 131.06 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.021 HG23 HD11 ' A' ' 51' ' ' ILE . 66.0 p -60.46 163.2 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -111.2 -23.8 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.6 m -140.57 178.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -93.28 179.64 5.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.3 27.79 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 4.5 m -78.42 123.21 26.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -96.38 147.35 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.4 m-85 -150.71 139.7 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.748 ' HB ' HD11 ' A' ' 65' ' ' LEU . 12.4 p -108.53 145.22 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -123.32 145.5 48.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 35' ' ' LEU . 64.6 mt -146.85 121.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.62 147.92 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -60.21 -60.48 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 116' ' ' GLN . 11.4 mm-40 -35.66 -62.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.662 ' OD2' HG11 ' A' ' 38' ' ' VAL . 6.1 m-20 -57.2 -36.52 70.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 6.1 t80 -68.06 -12.19 60.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.675 ' CE3' HD21 ' A' ' 93' ' ' LEU . 44.4 t90 -117.22 0.52 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -107.54 -6.42 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.698 HG22 HG13 ' A' ' 31' ' ' VAL . 88.7 mt -106.79 -55.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.57 -51.41 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -60.01 -176.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.9 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 31.6 mt . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -42.6 -40.62 2.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.34 -36.24 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' LEU . 3.0 mt -72.04 -59.47 2.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 29' ' ' MET . 1.0 OUTLIER -34.11 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.78 -53.76 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.796 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -59.78 -41.0 90.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtp -58.84 -31.19 68.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -69.59 -17.95 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -80.86 -28.11 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 8.9 mt -90.62 141.87 27.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -37.39 9.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.16 72.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.415 ' CE2' HG11 ' A' ' 63' ' ' VAL . 21.6 m-85 -92.79 -15.47 26.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.15 -27.85 48.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.86 -47.81 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 171.59 9.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -86.69 -179.74 6.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.788 ' HG3' HD12 ' A' ' 15' ' ' LEU . 2.1 ttt -63.97 -48.17 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -42.37 -56.2 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 122' ' ' ILE . 30.8 t -57.3 -51.73 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.49 ' HA ' HD12 ' A' ' 35' ' ' LEU . 55.1 mtt180 -45.27 -63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HG3' HD11 ' A' ' 15' ' ' LEU . 38.2 mtt180 -48.52 -51.29 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.06 -49.11 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.674 HD22 HD13 ' A' ' 114' ' ' ILE . 28.6 mt -50.09 -48.22 53.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.31 -23.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 p -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.18 23.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.4 mtt -80.65 116.77 20.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 113' ' ' CYS . 4.4 mp -83.86 148.89 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -105.51 117.19 33.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -141.38 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 110' ' ' GLN . 84.9 t -144.73 142.69 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.41 126.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.31 -42.36 9.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -80.54 112.29 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 164.48 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.51 21.31 62.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.24 143.26 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.718 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -76.62 131.96 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.777 HD11 HG23 ' A' ' 104' ' ' THR . 3.4 mm -101.89 -36.78 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.6 mt -151.17 133.94 15.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -93.97 157.49 16.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.63 133.13 51.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.63 29.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -107.4 124.5 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -67.02 87.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.797 HD13 ' O ' ' A' ' 88' ' ' GLY . 4.9 mt -62.0 128.15 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -128.22 2.71 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -137.61 142.7 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -87.61 118.64 27.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.594 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 22.3 m-85 -99.17 132.93 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.469 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 79.8 t -129.76 120.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.55 111.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 65' ' ' LEU . 10.8 mt -89.23 -39.24 13.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -159.8 137.94 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.51 -170.46 20.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 81' ' ' LEU . 18.1 m -131.12 139.01 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 m -124.05 136.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -104.21 140.48 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 78' ' ' VAL . 26.8 mt -116.69 136.96 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 t -121.89 141.8 50.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -114.17 147.02 36.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.69 37.07 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.362 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -79.27 -40.52 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.08 35.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -132.73 147.58 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 71' ' ' ILE . 40.5 t -129.5 115.35 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.19 119.64 34.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.81 119.07 38.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 68' ' ' THR . 25.2 mt -105.28 166.17 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -142.75 168.58 19.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.0 ttt -44.45 117.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.38 -36.21 3.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.37 166.03 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 p -135.46 160.57 38.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -170.76 152.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.797 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 142.28 -102.35 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.483 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.603 HG22 ' HB2' ' A' ' 58' ' ' LEU . 18.0 pt -124.08 -174.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.17 160.98 24.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.415 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.84 3.1 3.01 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.4 p -100.14 150.43 22.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.788 HD21 ' CE3' ' A' ' 120' ' ' TRP . 76.1 mt -58.94 -12.4 4.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -65.84 141.22 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -90.38 163.98 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 1.3 pm0 -145.81 158.81 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -123.19 131.49 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.1 tpt -56.63 132.58 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -107.56 33.52 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.02 -171.55 44.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.6 mt -117.5 137.83 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.4 t -112.99 132.72 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -143.25 130.9 21.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.777 HG23 HD11 ' A' ' 51' ' ' ILE . 6.9 p -56.66 162.95 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -118.04 -9.81 10.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.428 HG23 ' SG ' ' A' ' 109' ' ' CYS . 33.6 m -149.57 173.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.35 163.25 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 64.38 43.29 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 77.7 m -91.95 123.21 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.442 ' HG2' HG22 ' A' ' 43' ' ' VAL . 59.5 mt-30 -95.15 138.72 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 71.5 m-85 -141.51 154.07 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.469 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 14.7 p -123.95 145.91 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 14.1 m -124.9 146.44 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.674 HD13 HD22 ' A' ' 35' ' ' LEU . 55.0 mt -144.82 120.35 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.88 140.18 15.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.537 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 4.3 pt20 -61.5 -38.28 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.475 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 1.4 mp0 -53.43 -52.27 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.78 -32.6 63.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.0 t80 -64.96 -10.33 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.788 ' CE3' HD21 ' A' ' 93' ' ' LEU . 20.4 t90 -114.48 -2.23 13.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -99.73 -19.67 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.653 HG22 HG22 ' A' ' 31' ' ' VAL . 63.7 mt -89.49 -64.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.3 -60.83 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -57.97 179.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.737 0.303 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -44.38 -37.59 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD13 ' SG ' ' A' ' 36' ' ' CYS . 4.7 mt -64.06 -61.01 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -34.07 -59.34 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.68 -44.3 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.908 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.8 t80 -71.59 -41.48 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.408 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 12.9 mtp -62.16 -12.42 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -85.31 -38.7 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.69 -6.22 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.908 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 42.4 mt -105.69 135.16 19.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -41.72 4.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -30.78 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 16.5 m-85 -95.89 -49.52 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.48 -45.57 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.54 155.12 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 t -65.94 -179.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.456 ' HG3' HD12 ' A' ' 15' ' ' LEU . 3.4 ttt -61.36 -58.79 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' MET . 18.9 t -35.19 -68.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 93.5 t -37.05 -42.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 35' ' ' LEU . 50.8 mtt180 -64.5 -57.34 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -46.26 -44.67 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 10.5 mt-10 -62.98 -41.87 99.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.65 HD22 HD13 ' A' ' 114' ' ' ILE . 22.8 mt -60.26 -51.94 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.59 ' SG ' HD13 ' A' ' 14' ' ' LEU . 2.0 t -45.0 -22.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.9 t -70.74 -39.55 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' CB ' ' A' ' 118' ' ' ASP . 16.9 m -117.1 22.22 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.963 ' SD ' HD11 ' A' ' 114' ' ' ILE . 4.4 mmm -85.13 107.76 17.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.813 ' O ' HG23 ' A' ' 112' ' ' VAL . 27.9 mt -83.59 146.38 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HZ ' HD21 ' A' ' 14' ' ' LEU . 12.6 m-85 -103.92 132.85 49.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -154.08 139.41 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 109' ' ' CYS . 3.0 p -143.1 127.77 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.584 HG11 ' HB3' ' A' ' 49' ' ' ALA . 80.7 t -88.14 125.65 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.95 -43.35 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -86.23 120.01 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 176.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.93 19.46 10.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.584 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -79.41 140.52 37.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.744 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -78.53 118.23 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.945 HD11 HG23 ' A' ' 104' ' ' THR . 6.4 mm -82.12 -41.67 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.771 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 13.4 mt -149.6 142.95 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -102.19 143.36 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -62.2 140.34 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 29.1 39.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -117.6 120.63 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -55.49 91.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 88' ' ' GLY . 10.4 mt -61.77 110.49 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -117.65 26.52 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 3.6 m -162.64 125.47 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.589 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 19.2 t90 -79.57 131.81 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.771 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 10.8 m-85 -106.91 153.34 22.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.589 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 97.7 t -144.42 127.04 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 85' ' ' ASN . 38.9 mt -61.72 117.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -96.19 -36.55 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -163.04 132.93 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.93 -170.69 20.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.6 m -125.91 140.25 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.23 134.86 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -106.8 129.43 54.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.56 ' O ' HG13 ' A' ' 78' ' ' VAL . 74.8 mt -106.39 137.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 m -120.24 130.85 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -106.54 146.22 32.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.33 35.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -75.87 -40.55 54.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.95 30.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -123.61 149.79 44.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 71' ' ' ILE . 59.8 t -136.79 109.04 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -89.12 133.37 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.96 108.42 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' CB ' HD11 ' A' ' 64' ' ' ILE . 16.3 mt -99.67 154.31 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.66 172.19 12.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -44.66 118.38 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.45 -33.14 5.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.559 ' HB2' HD12 ' A' ' 64' ' ' ILE . 10.0 m120 -62.82 178.33 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 p -144.94 156.09 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -168.9 147.87 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.552 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 146.24 -79.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -153.39 167.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 160.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.4 p -89.79 150.7 22.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.587 HD21 ' CE3' ' A' ' 120' ' ' TRP . 11.2 mt -66.81 -20.55 65.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.22 130.65 42.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 152.89 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -143.09 138.2 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -108.03 137.16 46.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -60.02 105.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -85.58 33.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.49 47.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.5 mt -120.24 130.98 73.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.36 140.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -152.05 131.06 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.945 HG23 HD11 ' A' ' 51' ' ' ILE . 18.5 p -59.83 163.19 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -111.31 -22.89 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.8 m -138.85 -178.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -96.51 170.24 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 61.93 28.47 17.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 6.3 m -79.64 129.73 34.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 111' ' ' PHE . 40.2 mt-30 -102.65 155.27 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.5 m-85 -157.24 169.47 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 40' ' ' ILE . 8.0 p -138.52 146.84 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.2 m -118.96 145.24 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.963 HD11 ' SD ' ' A' ' 39' ' ' MET . 55.5 mt -144.86 120.5 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' A' ' 118' ' ' ASP . . . -49.69 147.94 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -66.33 -49.0 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -51.28 -40.93 60.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.484 ' CB ' HG21 ' A' ' 38' ' ' VAL . 10.4 m-20 -76.3 -31.8 58.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 9.1 t80 -68.59 -9.43 49.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.956 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.587 ' CE3' HD21 ' A' ' 93' ' ' LEU . 18.7 t90 -120.26 0.56 10.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' A' ' 118' ' ' ASP . 5.9 ptm180 -98.57 -24.52 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 34' ' ' GLU . 60.5 mt -89.2 -62.06 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 124' ' ' ASN . 4.4 mp -54.58 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 123' ' ' LEU . 12.8 m120 -49.31 179.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' GLU . 7.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . 5.3 mm-40 -36.77 -52.86 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.02 -45.52 93.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -55.03 -50.45 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 11' ' ' ILE . 1.6 mm? -49.39 -68.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.16 -36.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.801 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -66.55 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 2.1 mtt -46.13 -40.22 10.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' NH1' ' A' ' 32' ' ' ARG . 4.6 m80 -51.67 -34.64 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.75 -42.91 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.801 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -85.65 136.26 37.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -34.79 13.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' SD ' ' A' ' 27' ' ' MET . . . -55.3 -39.39 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 21.2 m-85 -85.77 -49.75 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.15 -39.74 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -47.04 -50.13 20.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -72.2 165.17 24.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.508 HG23 HG23 ' A' ' 31' ' ' VAL . 1.3 t -89.47 158.63 17.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 tpt -38.67 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 m -38.14 -66.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG23 HG23 ' A' ' 28' ' ' THR . 79.1 t -39.59 -59.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 19' ' ' HIS . 48.9 mtt180 -40.07 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ARG . 14.8 ttt180 -34.47 -55.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' HG21 ' A' ' 122' ' ' ILE . 5.6 mm-40 -54.37 -42.41 70.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.741 ' HA ' HG22 ' A' ' 38' ' ' VAL . 44.8 mt -62.78 -45.84 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.475 ' SG ' HD12 ' A' ' 14' ' ' LEU . 72.1 m -54.56 -18.17 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -97.73 -20.63 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.806 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.741 HG22 ' HA ' ' A' ' 35' ' ' LEU . 3.3 m -112.8 14.52 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.452 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 5.9 ptp -111.26 146.68 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 112' ' ' VAL . 48.4 mt -95.82 154.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 40' ' ' ILE . 47.0 m-85 -115.96 114.25 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -139.85 153.14 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.45 121.21 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.34 126.89 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -88.91 -41.34 12.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -86.44 119.6 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.72 178.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.38 9.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.36 141.22 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -78.21 118.63 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.936 HD11 HG23 ' A' ' 104' ' ' THR . 2.6 mm -87.74 -42.77 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.29 146.88 30.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -108.38 152.69 24.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -66.88 134.76 52.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.03 30.77 24.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.26 126.61 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 8.9 tt0 -66.87 86.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 88' ' ' GLY . 6.7 mt -54.79 124.12 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -129.74 -3.14 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.3 m -134.18 126.77 30.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.432 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 29.4 t90 -75.72 124.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.0 m-85 -101.59 151.6 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.432 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 61.5 t -139.95 153.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HG12 ' A' ' 63' ' ' VAL . 32.6 mt -97.44 98.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.35 -36.25 34.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.15 141.48 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.23 177.0 39.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.808 HG23 ' O ' ' A' ' 81' ' ' LEU . 65.5 m -120.55 135.09 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.135 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 m -116.55 142.23 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -114.42 140.44 48.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.526 ' O ' HG13 ' A' ' 78' ' ' VAL . 62.2 mt -114.26 142.61 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -127.24 130.34 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -102.76 149.49 36.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.29 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.2 -46.53 17.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -126.5 145.84 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 71' ' ' ILE . 57.6 t -134.91 103.92 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.96 172.93 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.95 109.74 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 68' ' ' THR . 29.6 mt -107.22 153.95 21.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -133.05 162.47 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.405 ' HA ' HG22 ' A' ' 64' ' ' ILE . 8.4 ttt -38.33 115.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.75 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 125.6 -39.31 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.44 175.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -148.43 149.36 31.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -149.41 164.95 33.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.68 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 129.87 -100.5 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 58' ' ' LEU . 18.9 pt -127.81 -176.79 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.22 160.41 26.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.551 0.691 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.76 -0.36 6.8 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 34.0 p -97.97 131.43 44.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' THR . 58.5 mt -34.43 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.1 m-20 -42.22 139.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -93.8 176.29 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HG2' HG22 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -166.34 160.98 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.2 m-85 -127.41 146.82 50.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 tpt -66.01 136.77 56.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.47 29.46 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.22 -160.06 22.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.9 mt -130.34 127.36 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.3 t -98.65 144.34 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -156.5 131.41 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.936 HG23 HD11 ' A' ' 51' ' ' ILE . 64.2 p -64.01 151.22 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -98.01 -28.83 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.09 173.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -91.0 174.18 7.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.31 34.53 20.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 5.9 m -82.16 131.95 35.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -107.63 140.19 41.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 77.2 m-85 -143.15 174.54 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 40' ' ' ILE . 3.4 p -146.47 142.68 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 10.0 m -116.31 131.61 56.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.567 HD13 HD22 ' A' ' 35' ' ' LEU . 95.0 mt -130.21 122.71 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.44 137.04 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -51.83 -58.65 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -40.31 -54.5 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.24 -30.98 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.485 ' O ' HD13 ' A' ' 123' ' ' LEU . 10.9 t80 -69.69 -21.22 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.632 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 42.3 t90 -109.89 1.86 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -99.77 -13.29 19.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 31' ' ' VAL . 53.1 mt -103.35 -50.55 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 119' ' ' TYR . 5.1 mp -66.47 -33.4 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.632 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.4 m120 -83.98 -174.96 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m170 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.36 -45.42 8.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.7 -45.04 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD13 ' SG ' ' A' ' 36' ' ' CYS . 3.1 mt -63.13 -59.75 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . 70.3 mt -35.23 -48.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.23 -49.09 79.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.824 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.8 t80 -61.18 -56.1 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 10.6 mtp -44.75 -42.91 8.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -53.17 -37.73 62.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -66.39 -41.73 88.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.824 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 7.2 mt -68.48 141.3 93.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -40.36 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.4 -42.17 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 35.0 m-85 -86.16 -17.95 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.37 90.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -53.61 -21.76 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.421 ' SD ' HG11 ' A' ' 31' ' ' VAL . 15.5 mtt -100.43 168.09 9.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -98.62 -178.16 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' ARG . 33.2 tpp -59.08 -66.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 29' ' ' MET . 58.4 m -35.28 -44.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 48.2 t -61.6 -45.59 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' MET . 96.9 mtt180 -56.14 -69.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -42.27 -46.56 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -58.31 -49.62 76.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 114' ' ' ILE . 19.2 mt -55.99 -48.2 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.561 ' SG ' HD13 ' A' ' 14' ' ' LEU . 16.6 t -55.18 -15.43 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -93.37 -20.28 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 35' ' ' LEU . 3.7 m -121.06 21.54 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.664 ' SD ' HG21 ' A' ' 112' ' ' VAL . 2.9 ptp -115.02 141.02 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.68 HD13 ' HB3' ' A' ' 113' ' ' CYS . 4.3 mp -90.79 159.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.519 ' N ' HG22 ' A' ' 40' ' ' ILE . 27.3 m-85 -113.56 109.57 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -135.59 148.99 49.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 109' ' ' CYS . 7.1 p -151.6 124.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.52 HG11 ' HB3' ' A' ' 49' ' ' ALA . 60.5 t -81.13 132.17 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -97.13 -35.99 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -97.1 110.09 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.24 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.91 17.74 30.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.52 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -80.9 136.85 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.2 mp -79.2 110.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.04 HD11 HG23 ' A' ' 104' ' ' THR . 7.1 mm -73.59 -42.53 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -142.12 179.35 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.79 134.34 38.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 1.2 t70 -60.16 134.42 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.81 39.61 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' OE1' ' A' ' 56' ' ' GLN . 0.9 OUTLIER -128.12 143.83 51.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.309 . . . . 0.0 110.932 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.95 99.77 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 88' ' ' GLY . 8.5 mt -64.05 119.25 9.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.15 25.95 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -166.8 135.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.525 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 27.6 t90 -88.16 121.19 30.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.95 151.25 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.434 ' HB ' HG12 ' A' ' 112' ' ' VAL . 61.4 t -138.4 147.72 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mt -87.31 102.41 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.92 -35.74 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -163.52 135.56 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.12 -168.55 14.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 81' ' ' LEU . 52.2 m -133.23 132.98 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 111.139 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.0 132.6 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -104.48 129.88 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -109.72 136.25 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.5 t -118.25 142.81 47.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -110.87 147.15 35.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.29 37.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 -45.56 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.9 36.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -132.49 150.03 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.66 113.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -87.67 144.89 26.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.71 107.39 11.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 68' ' ' THR . 48.3 mt -100.78 149.89 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -124.67 169.38 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.8 ttt -45.15 115.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.472 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 126.66 -33.44 3.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.454 ' HB3' HD22 ' A' ' 81' ' ' LEU . 20.4 m120 -71.48 159.74 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 p -131.47 153.36 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -156.27 156.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.947 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 139.06 -85.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 116' ' ' GLN . 7.7 pt -143.02 -176.15 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.08 160.55 26.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.73 0.89 4.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.9 p -97.38 130.88 44.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.731 HD21 ' CE3' ' A' ' 120' ' ' TRP . 77.1 mt -38.18 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.991 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.1 m-20 -48.95 149.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 173.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -159.52 153.17 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.32 133.82 55.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 tpt -53.02 147.36 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -126.18 43.39 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 159.1 173.96 28.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.1 mt -103.99 125.47 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 t -96.12 133.87 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -145.88 130.85 18.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.04 HG23 HD11 ' A' ' 51' ' ' ILE . 57.6 p -59.31 161.41 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -108.49 -32.15 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.74 171.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.88 172.9 11.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.4 t0 59.74 44.0 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.554 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.6 m -93.8 123.2 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.86 149.06 22.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 84.6 m-85 -151.51 167.98 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.664 HG21 ' SD ' ' A' ' 39' ' ' MET . 12.3 p -138.32 142.67 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.68 ' HB3' HD13 ' A' ' 40' ' ' ILE . 1.7 t -110.49 139.92 45.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.668 HD13 HD22 ' A' ' 35' ' ' LEU . 62.4 mt -146.4 120.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 142.77 55.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.688 ' HB3' HD13 ' A' ' 89' ' ' ILE . 6.0 pt20 -61.87 -40.58 95.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.475 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 12.8 mm-40 -51.81 -50.11 61.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.43 -28.93 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.525 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 4.4 t80 -66.24 -13.09 59.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.731 ' CE3' HD21 ' A' ' 93' ' ' LEU . 59.3 t90 -113.02 4.45 16.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -104.95 -24.02 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 85.5 mt -92.42 -62.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -54.98 -57.28 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -58.86 -177.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 29.4 m170 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.773 0.32 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.22 -54.73 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 5.6 pt20 -57.97 -49.32 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.688 HD13 ' SG ' ' A' ' 36' ' ' CYS . 3.8 mt -52.59 -57.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 32' ' ' ARG . 30.6 mt -48.58 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 13' ' ' GLN . 7.9 pt-20 -40.52 -34.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.679 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.7 t80 -73.84 -48.25 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mtp -50.87 -31.88 18.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -64.84 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.679 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 22.7 mt -75.27 142.23 74.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.54 3.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.8 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HD2' HD12 ' A' ' 21' ' ' LEU . 7.8 m-85 -86.73 -40.54 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.99 -33.09 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -46.13 -46.58 17.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.41 161.27 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 30' ' ' SER . 11.9 t -86.32 173.46 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 ttt -50.9 -46.41 60.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.443 ' HB2' HG23 ' A' ' 28' ' ' THR . 3.9 m -41.57 -66.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -48.97 -48.72 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.778 ' HA ' HD12 ' A' ' 35' ' ' LEU . 58.3 mtt180 -49.29 -69.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -38.38 -52.52 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.64 -41.21 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 32' ' ' ARG . 13.0 mt -64.17 -52.49 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.688 ' SG ' HD13 ' A' ' 14' ' ' LEU . 1.8 t -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t -68.22 -36.78 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.571 HG21 ' HB3' ' A' ' 118' ' ' ASP . 31.9 m -115.21 22.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.937 ' SD ' HD11 ' A' ' 114' ' ' ILE . 2.6 mmm -88.96 115.68 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.63 148.62 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.79 133.14 46.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -150.86 129.14 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.9 t -137.33 127.34 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.616 HG11 ' HB3' ' A' ' 49' ' ' ALA . 58.8 t -94.63 122.84 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -89.61 -39.63 13.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.0 118.9 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 176.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.98 23.88 12.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -81.18 140.3 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -80.19 121.82 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.935 HD11 HG23 ' A' ' 104' ' ' THR . 2.5 mm -85.37 -40.22 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 62' ' ' TYR . 27.1 mt -148.79 171.21 16.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.3 146.94 51.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.83 126.61 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.29 29.44 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -118.95 118.38 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.59 96.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 6.8 mt -64.56 118.97 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 59' ' ' ASP . 35.9 p30 -128.39 27.61 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -160.49 141.41 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 20.9 t90 -92.17 123.04 35.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.7 m-85 -105.99 117.36 33.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' HB ' HG12 ' A' ' 112' ' ' VAL . 95.0 t -113.99 123.04 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 83' ' ' MET . 37.1 mt -60.39 112.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD11 ' HB ' ' A' ' 112' ' ' VAL . 21.8 mt -94.24 -36.04 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -159.89 149.83 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.39 -163.9 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 81' ' ' LEU . 88.1 m -134.98 137.55 43.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -120.89 130.02 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.61 126.55 52.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.546 ' O ' HG13 ' A' ' 78' ' ' VAL . 46.3 mt -104.01 144.46 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 m -131.38 117.08 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -89.03 151.04 46.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.226 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.77 -43.28 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.76 31.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -123.73 152.7 41.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 71' ' ' ILE . 37.4 t -136.86 108.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -87.67 135.46 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -112.18 107.11 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 68' ' ' THR . 21.2 mt -104.1 152.13 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.82 172.82 11.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.434 ' HA ' HG22 ' A' ' 64' ' ' ILE . 16.5 ttt -44.78 118.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.471 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 121.64 -43.16 1.54 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.92 165.95 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 p -134.23 157.35 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 62' ' ' TYR . 27.3 p90 -166.21 147.32 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.36 -100.23 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 6.8 pt -130.62 171.04 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.442 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -102.3 162.01 21.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.6 0.714 . . . . 0.0 111.104 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 4.27 2.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -98.29 129.1 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.468 HD21 ' CE3' ' A' ' 120' ' ' TRP . 74.6 mt -42.98 -29.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -39.46 130.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -73.68 146.17 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.442 ' NE2' ' OG1' ' A' ' 90' ' ' THR . 17.2 mt-30 -141.72 130.88 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.01 133.16 52.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.459 ' SD ' HD21 ' A' ' 58' ' ' LEU . 11.9 tpt -56.04 143.14 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -124.59 40.49 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.15 179.36 45.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.31 120.95 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 t -92.86 142.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -151.38 130.88 12.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.935 HG23 HD11 ' A' ' 51' ' ' ILE . 55.5 p -60.15 167.73 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -114.71 -27.47 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 m -134.89 -177.25 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.85 170.06 9.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 56.18 48.63 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 44.7 m -95.02 134.53 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -101.22 145.92 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 76.4 m-85 -153.98 139.7 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.635 HG21 ' SD ' ' A' ' 39' ' ' MET . 4.4 p -108.0 151.09 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 m -127.8 146.84 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.937 HD11 ' SD ' ' A' ' 39' ' ' MET . 65.9 mt -146.93 118.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.13 139.1 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -49.46 -56.46 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -43.18 -66.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.571 ' HB3' HG21 ' A' ' 38' ' ' VAL . 13.4 m-20 -51.04 -44.57 61.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.613 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.4 t80 -53.88 -35.13 61.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.534 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 57.0 t90 -95.67 2.59 54.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -99.28 -18.28 17.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 35' ' ' LEU . 53.2 mt -99.04 -70.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -45.85 -40.37 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 10.3 m120 -76.42 -175.12 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -70.87 -34.33 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.793 HD13 ' SG ' ' A' ' 36' ' ' CYS . 7.7 mt -72.95 -60.5 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -42.4 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 13.6 pt-20 -42.51 -39.99 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.696 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -71.08 -39.09 72.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.9 mtp -65.2 -14.55 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH12 ' A' ' 32' ' ' ARG . 8.4 t-80 -80.35 -15.62 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.2 -13.62 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.696 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 43.9 mt -102.99 140.26 20.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.72 -35.79 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -93.32 -35.31 13.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.01 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -70.46 -7.58 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.78 152.51 50.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -54.51 161.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.86 -44.81 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 t -51.91 -23.48 4.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 t -87.25 -25.82 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.514 HH12 ' CD2' ' A' ' 19' ' ' HIS . 96.9 mtt180 -68.16 -54.08 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.05 -45.58 75.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.56 -38.96 70.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 HD13 ' A' ' 114' ' ' ILE . 23.1 mt -63.84 -45.05 91.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.793 ' SG ' HD13 ' A' ' 14' ' ' LEU . 49.0 t -52.25 -23.8 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -74.66 -35.18 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.32 21.48 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.437 ' SD ' HG21 ' A' ' 112' ' ' VAL . 4.6 mtt -84.57 140.12 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 112' ' ' VAL . 3.8 mm -102.34 157.79 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 40' ' ' ILE . 39.4 m-85 -113.3 114.36 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -141.46 142.4 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.25 125.47 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 49' ' ' ALA . 92.3 t -90.31 123.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -91.38 -43.44 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 79.0 mt-30 -81.9 103.54 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.55 171.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.12 33.14 37.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -90.11 146.48 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 50' ' ' ILE . 2.7 mp -80.57 123.47 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.888 HD11 HG23 ' A' ' 104' ' ' THR . 3.2 mm -92.5 -35.7 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 58' ' ' LEU . 28.5 mt -154.72 127.06 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -87.0 152.0 22.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.51 109.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.86 24.03 8.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -97.86 109.68 22.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -45.81 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.937 HD13 ' O ' ' A' ' 88' ' ' GLY . 13.5 mt -66.99 114.31 5.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -125.26 33.89 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.7 p -169.36 133.54 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.439 ' CZ2' ' HB2' ' A' ' 86' ' ' SER . 15.2 t90 -82.51 121.92 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 m-85 -104.03 137.7 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.1 t -134.37 117.2 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.7 mt -53.65 115.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.58 -43.29 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -155.76 121.34 4.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.79 -168.75 13.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 81' ' ' LEU . 98.9 m -132.21 135.37 46.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.0 m -117.29 133.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -104.76 132.36 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 78' ' ' VAL . 46.3 mt -110.05 131.41 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -118.85 127.54 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -98.69 148.77 35.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.49 37.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -76.23 -43.89 40.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.29 33.12 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.93 156.18 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 71' ' ' ILE . 25.9 t -137.89 118.33 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.96 121.47 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.81 118.65 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.911 HD22 ' CG ' ' A' ' 85' ' ' ASN . 48.9 mt -110.56 163.85 13.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 83' ' ' MET . 25.7 m-85 -144.73 158.95 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 82' ' ' PHE . 9.9 ttt -34.52 110.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 133.53 -25.48 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.911 ' CG ' HD22 ' A' ' 81' ' ' LEU . 3.6 t-20 -75.79 171.73 13.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.439 ' HB2' ' CZ2' ' A' ' 61' ' ' TRP . 58.7 p -141.0 129.62 22.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 8.3 p90 -144.16 154.01 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.937 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 139.28 -83.8 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 116' ' ' GLN . 10.1 pt -142.98 175.58 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.479 ' H ' ' NE2' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -101.32 160.53 26.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.522 0.677 . . . . 0.0 111.183 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.8 Cg_endo -69.79 0.92 4.97 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' ASP . 58.4 p -92.79 134.54 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 19.8 mt -42.28 -24.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 92' ' ' THR . 3.7 t70 -58.76 155.88 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -100.63 165.72 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.479 ' NE2' ' H ' ' A' ' 90' ' ' THR . 3.7 mp0 -147.67 147.9 30.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.49 149.01 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -64.94 112.41 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -83.7 37.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' N ' ' SD ' ' A' ' 98' ' ' MET . . . 163.67 -161.9 34.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.27 123.52 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.8 t -98.66 140.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -148.33 131.13 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.888 HG23 HD11 ' A' ' 51' ' ' ILE . 14.6 p -61.25 154.61 23.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -103.5 -22.2 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.48 173.19 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.4 175.8 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.18 40.88 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.12 129.7 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -95.84 135.24 37.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.31 142.53 37.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.4 p -116.49 143.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.406 ' C ' HG13 ' A' ' 114' ' ' ILE . 56.8 m -120.49 149.37 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.574 HD13 HD22 ' A' ' 35' ' ' LEU . 52.1 mt -144.82 119.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.15 147.89 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.43 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 1.7 tt0 -65.03 -58.82 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -40.03 -49.51 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.41 -38.6 77.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.527 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.8 t80 -62.28 -23.71 66.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 53.0 t90 -101.0 4.65 42.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 121' ' ' ARG . 14.5 ttm105 -102.98 -27.34 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 52.7 mt -87.29 -72.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.05 -54.79 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.442 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 10.0 m120 -55.31 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.914 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LEU . 33.9 mt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -46.09 -42.08 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.98 -26.57 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 34.0 tp -78.46 -47.3 17.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' CE ' ' A' ' 29' ' ' MET . 36.3 mt -49.49 -53.58 22.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -44.27 -48.86 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.76 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 1.9 t80 -60.41 -58.61 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.568 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.5 mtp -42.23 -47.31 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CD2' HH12 ' A' ' 32' ' ' ARG . 2.3 t-80 -45.85 -42.22 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.02 -44.15 87.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 11.8 mt -69.73 139.21 88.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.61 0.719 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.9 9.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.34 79.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 20.8 m-85 -88.76 -39.81 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.79 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -42.8 -45.27 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.521 ' SD ' HD11 ' A' ' 35' ' ' LEU . 7.3 mtt -76.06 161.36 28.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.423 HG22 HG23 ' A' ' 31' ' ' VAL . 15.4 t -85.27 160.65 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.498 ' CE ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.66 -53.54 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' VAL . 28.3 m -47.57 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG13 HG22 ' A' ' 122' ' ' ILE . 80.6 t -36.26 -54.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.512 HH12 ' CD2' ' A' ' 19' ' ' HIS . 93.4 mtt180 -45.47 -49.52 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -61.81 -54.04 47.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -51.6 -36.45 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.521 HD11 ' SD ' ' A' ' 27' ' ' MET . 23.2 mt -62.34 -49.33 76.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 49.4 t -59.78 -12.11 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -97.7 -10.08 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG21 ' HB3' ' A' ' 118' ' ' ASP . 23.0 m -132.54 21.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.779 ' SD ' HG21 ' A' ' 112' ' ' VAL . 3.4 ptp -114.31 156.47 24.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.905 HD12 ' HB3' ' A' ' 113' ' ' CYS . 34.6 mt -106.03 145.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -102.18 103.67 14.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -127.99 156.67 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 109' ' ' CYS . 2.1 p -152.8 123.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -78.38 131.59 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -95.8 -38.71 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -92.43 111.31 22.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.45 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 43.34 35.97 2.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.05 138.63 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.728 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.4 mp -74.55 110.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 104' ' ' THR . 6.7 mm -76.81 -42.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -143.99 155.89 44.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -111.51 150.56 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.03 138.78 57.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.08 40.07 62.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -117.87 113.76 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -50.29 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.38 127.94 34.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.457 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -125.49 -28.81 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 m -104.4 153.58 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.618 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 21.6 t90 -97.38 145.29 26.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 27.4 m-85 -128.43 128.55 44.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.526 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 97.2 t -122.9 134.51 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mt -72.43 104.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' A' ' 112' ' ' VAL . 75.6 mt -83.71 -41.87 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -156.02 138.89 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.68 -177.32 26.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.855 HG22 ' HG3' ' A' ' 105' ' ' LYS . 92.6 m -121.63 138.46 54.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.136 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.0 m -122.81 135.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -111.67 141.5 45.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 102' ' ' VAL . 65.4 mt -114.72 135.58 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t -118.56 131.6 56.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -101.68 148.09 34.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -16.28 37.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -75.48 -45.84 36.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.7 33.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -128.34 163.04 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -147.88 119.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -92.0 168.6 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.23 107.21 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 68' ' ' THR . 10.0 mt -100.19 155.87 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -127.56 177.51 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ttt -53.54 118.04 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.22 -31.52 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.85 170.34 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.9 p -142.12 142.48 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.9 p90 -145.25 147.76 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.68 -106.66 0.49 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 59' ' ' ASP . 6.0 pt -121.62 159.77 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.89 158.86 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.504 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.4 Cg_endo -69.75 2.74 3.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.406 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' LEU . 71.8 p -99.15 131.12 45.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 120' ' ' TRP . 17.1 mt -34.93 -36.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' THR . 34.6 m-20 -44.1 141.07 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.529 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 7.3 mptt -78.64 169.18 18.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 95' ' ' LYS . 14.7 mp0 -145.7 132.39 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -110.71 139.98 45.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.0 tpt -77.38 142.42 39.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -123.17 31.75 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.86 -169.05 37.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.9 128.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 71' ' ' ILE . 42.8 t -99.18 139.25 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.405 HH21 ' CA ' ' A' ' 48' ' ' GLY . 8.6 mtp180 -145.87 134.25 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.0 HG23 HD11 ' A' ' 51' ' ' ILE . 15.2 p -59.04 165.22 2.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.855 ' HG3' HG22 ' A' ' 68' ' ' THR . 3.6 mmpt? -108.34 -27.34 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.19 -178.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -94.38 162.66 13.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.22 46.66 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.408 ' O ' HG23 ' A' ' 43' ' ' VAL . 34.5 m -94.02 128.58 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -97.84 143.83 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -146.4 172.3 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.779 HG21 ' SD ' ' A' ' 39' ' ' MET . 8.1 p -141.87 140.46 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.905 ' HB3' HD12 ' A' ' 40' ' ' ILE . 1.8 t -115.15 130.74 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.484 HD13 HD22 ' A' ' 35' ' ' LEU . 32.1 mt -133.61 127.61 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.71 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 119' ' ' TYR . 35.0 tt0 -60.97 -63.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.2 mp0 -37.53 -55.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HB3' HG21 ' A' ' 38' ' ' VAL . 15.7 m-20 -61.81 -35.52 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.618 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.6 t80 -65.29 -36.95 85.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.568 ' CE3' HD21 ' A' ' 93' ' ' LEU . 45.0 t90 -94.05 3.11 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -101.53 -26.94 13.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.626 HG22 HG13 ' A' ' 31' ' ' VAL . 60.6 mt -89.19 -59.33 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.43 -64.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -52.97 -178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.732 0.301 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -46.21 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -60.93 -13.26 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.92 -45.34 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' MET . 22.8 mt -56.44 -65.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 19' ' ' HIS . 6.3 pt-20 -38.87 -36.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.467 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 1.5 t80 -75.03 -38.92 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 24' ' ' PHE . 11.1 mmm -57.4 -49.7 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -70.26 -23.12 62.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -67.31 -13.58 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD22 ' HA2' ' A' ' 84' ' ' GLY . 77.5 mt -103.8 144.86 29.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.83 5.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -26.64 68.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' A' ' 18' ' ' MET . 2.7 m-85 -97.56 -25.08 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.34 12.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.65 -40.38 59.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.512 ' SD ' HG11 ' A' ' 31' ' ' VAL . 13.0 mtt -87.73 166.08 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -108.37 173.36 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.4 mmm -41.55 -59.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -39.38 -69.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG11 ' SD ' ' A' ' 27' ' ' MET . 19.9 t -44.47 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.7 -47.0 30.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -61.17 -49.44 77.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -56.9 -50.74 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD22 HD13 ' A' ' 114' ' ' ILE . 27.7 mt -51.99 -48.35 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 t -47.09 -20.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t -76.73 -36.23 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 118' ' ' ASP . 25.8 m -114.4 23.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.951 ' SD ' HD11 ' A' ' 114' ' ' ILE . 1.5 mmt -90.93 119.37 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mt -86.75 140.62 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.45 ' C ' ' OE1' ' A' ' 42' ' ' GLU . 47.6 m-85 -97.0 126.9 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 41' ' ' PHE . 20.5 mp0 -143.33 145.72 32.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.56 124.77 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.545 HG11 ' HB3' ' A' ' 49' ' ' ALA . 84.5 t -93.55 126.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.21 -36.94 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -83.69 112.66 20.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 167.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.98 24.14 57.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -81.13 140.05 35.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.713 HD12 ' N ' ' A' ' 50' ' ' ILE . 2.2 mp -78.7 117.6 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.932 HD11 HG23 ' A' ' 104' ' ' THR . 4.9 mm -83.26 -40.51 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.3 mt -143.79 172.44 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.21 133.7 41.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 2.5 t70 -56.57 124.93 19.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.63 33.79 9.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -119.56 110.94 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 97' ' ' TYR . 8.1 tt0 -46.68 99.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 96' ' ' GLN . 4.1 mt -65.7 126.75 29.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -129.72 28.67 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -171.64 142.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -86.57 138.5 31.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 37.2 m-85 -120.1 135.59 54.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.6 t -136.46 120.56 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 mt -54.4 119.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD11 ' HB ' ' A' ' 112' ' ' VAL . 92.8 mt -97.09 -41.31 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -156.0 135.46 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.79 -170.52 20.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 m -122.26 150.13 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.11 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.481 HG11 ' HE2' ' A' ' 111' ' ' PHE . 31.1 m -133.62 133.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -112.68 131.53 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.664 ' O ' HG13 ' A' ' 78' ' ' VAL . 51.8 mt -107.67 140.23 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -124.11 147.77 47.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -117.31 146.77 39.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.49 37.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.236 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.99 -47.36 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.98 37.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -136.54 149.41 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 71' ' ' ILE . 31.8 t -138.37 116.38 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -88.23 158.47 18.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.07 111.56 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.931 HD22 ' CG ' ' A' ' 85' ' ' ASN . 66.3 mt -106.41 154.81 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' MET . 42.4 m-85 -132.88 160.15 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' PHE . 17.2 ttt -36.52 109.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.596 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 134.97 -33.29 2.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.931 ' CG ' HD22 ' A' ' 81' ' ' LEU . 7.8 t-20 -68.2 174.17 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 p -145.23 136.16 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 34.1 p90 -143.96 146.81 33.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 145.52 -112.7 0.66 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.7 pt -119.91 -178.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -103.41 157.93 32.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.73 1.37 4.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.618 2.212 . . . . 0.0 112.378 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.7 p -100.23 135.47 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.511 HD21 ' CE3' ' A' ' 120' ' ' TRP . 42.8 mt -35.87 -32.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 7.9 m-20 -46.54 143.64 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -104.61 161.7 13.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.445 ' O ' HD12 ' A' ' 58' ' ' LEU . 5.6 pt20 -156.48 147.92 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 3.6 m-85 -103.59 160.57 14.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.7 tpt -69.8 151.41 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.62 34.0 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 164.63 -167.81 38.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.3 mt -116.48 140.94 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.1 t -115.11 130.88 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -142.93 130.81 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.932 HG23 HD11 ' A' ' 51' ' ' ILE . 37.2 p -61.24 158.44 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -28.89 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.52 -176.62 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.22 168.86 9.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 70.61 26.4 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.3 m -81.1 136.73 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -112.1 143.5 43.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.481 ' HE2' HG11 ' A' ' 69' ' ' VAL . 70.6 m-85 -142.58 164.92 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.604 HG21 ' SD ' ' A' ' 39' ' ' MET . 9.3 p -129.0 148.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.436 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 21.5 m -127.77 147.82 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.951 HD11 ' SD ' ' A' ' 39' ' ' MET . 63.1 mt -146.53 125.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.52 129.26 39.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 119' ' ' TYR . 13.5 tt0 -40.87 -64.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 116' ' ' GLN . 30.7 mm-40 -36.48 -59.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.589 ' HB3' HG21 ' A' ' 38' ' ' VAL . 20.2 m-20 -63.62 -30.42 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.0 t80 -72.23 -19.31 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 43.4 t90 -110.19 2.38 19.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -98.18 -15.26 19.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 31' ' ' VAL . 57.4 mt -101.97 -69.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.42 -46.26 18.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.409 ' CG ' ' CD1' ' A' ' 120' ' ' TRP . 11.7 m120 -72.4 -175.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.815 0.34 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.44 -32.75 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -79.45 -18.93 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 36' ' ' CYS . 4.0 mt -91.79 -62.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD21 ' N ' ' A' ' 33' ' ' ARG . 14.3 mt -35.7 -55.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.24 -40.58 74.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.2 t80 -67.28 -37.07 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.512 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 38.9 mtp -62.1 -11.93 16.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -7.42 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -103.76 -15.51 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 30.9 mt -97.3 137.73 21.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -43.66 2.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.3 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.01 -28.41 57.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CE1' ' HE3' ' A' ' 18' ' ' MET . 30.4 m-85 -95.51 -51.65 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.14 -32.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -52.42 -49.07 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.849 ' SD ' HD11 ' A' ' 35' ' ' LEU . 7.1 mtt -72.02 174.95 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' MET . 8.9 t -96.67 160.58 14.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' THR . 1.1 tpt -36.59 -68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' MET . 39.4 m -38.43 -66.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 27' ' ' MET . 20.3 t -38.09 -59.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.606 ' HA ' HD12 ' A' ' 35' ' ' LEU . 84.2 mtt180 -39.13 -58.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.498 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.9 tmt_? -53.44 -54.99 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.553 ' HB2' HG21 ' A' ' 122' ' ' ILE . 13.7 mm-40 -46.56 -47.5 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.849 HD11 ' SD ' ' A' ' 27' ' ' MET . 13.6 mt -51.53 -52.01 50.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 14' ' ' LEU . 6.6 t -55.91 -16.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -72.87 -31.84 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.38 19.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.7 mtt -74.75 134.58 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 112' ' ' VAL . 59.4 mt -97.16 151.18 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -109.77 109.38 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -141.92 132.81 25.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 109' ' ' CYS . 6.9 p -141.89 129.03 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.7 t -84.36 127.2 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -88.37 -34.13 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -95.18 123.53 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.98 176.54 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.0 33.38 29.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.23 144.28 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.312 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -81.07 117.66 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.009 HD11 HG23 ' A' ' 104' ' ' THR . 3.8 mm -83.16 -40.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.1 mt -145.19 172.91 12.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -133.06 143.19 49.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -63.93 126.8 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.37 23.52 24.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -107.73 122.27 46.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 91.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 88' ' ' GLY . 5.6 mt -65.66 124.86 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.63 -8.69 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 139.82 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.1 t90 -91.56 119.03 31.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 6.8 m-85 -101.18 145.9 28.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 86' ' ' SER . 58.6 t -138.26 139.55 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 mt -80.74 123.6 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 112' ' ' VAL . 70.6 mt -107.48 -35.18 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -153.21 134.54 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.55 -169.85 19.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -132.72 133.54 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.152 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.19 141.51 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -116.62 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mt -111.36 134.59 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -118.07 140.1 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -111.86 148.34 38.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -17.98 36.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.11 -49.69 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.45 34.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -127.72 146.86 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.5 t -133.91 101.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 159.59 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.39 106.85 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.06 HD22 ' CG ' ' A' ' 85' ' ' ASN . 15.3 mt -99.85 153.55 19.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -128.61 166.79 18.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.9 ttt -39.7 110.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.651 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 135.09 -34.19 2.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 1.06 ' CG ' HD22 ' A' ' 81' ' ' LEU . 12.1 t-20 -74.74 170.2 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.775 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -145.6 146.07 31.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 10.4 p90 -142.22 151.45 42.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.507 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 140.5 -112.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.528 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.2 pt -115.32 -175.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.33 160.2 30.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.477 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 0.53 5.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' ASP . 46.7 p -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.7 mt -37.82 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.47 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.7 m-20 -48.69 150.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.89 175.36 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 6.5 mp0 -150.41 165.42 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -139.14 132.53 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.0 tpt -65.07 139.4 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -120.53 32.29 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.18 178.98 48.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.41 117.8 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.55 141.63 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -149.47 130.84 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.009 HG23 HD11 ' A' ' 51' ' ' ILE . 70.9 p -60.1 158.99 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -104.44 -34.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.0 -179.38 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.39 168.1 11.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.22 48.42 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.713 ' O ' HG23 ' A' ' 43' ' ' VAL . 35.9 m -93.16 127.93 38.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -99.22 145.46 27.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 64.6 m-85 -152.32 153.37 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 40' ' ' ILE . 13.6 p -126.41 142.23 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 63.1 m -120.19 143.56 48.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 119' ' ' TYR . 74.6 mt -136.61 119.54 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.82 136.81 39.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' TYR . 32.8 tt0 -49.35 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.4 mp0 -36.94 -61.5 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.23 -30.32 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.1 t80 -71.32 -23.36 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 9.9 t90 -104.28 -2.31 25.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -98.86 -0.13 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 34' ' ' GLU . 72.5 mt -112.75 -59.92 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -84.99 -175.78 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -40.61 -58.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -53.08 -33.44 52.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -69.81 -51.12 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -56.93 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -46.7 -31.97 3.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.517 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.6 t80 -82.99 -37.68 23.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.551 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 28.3 mmm -49.0 -20.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' A' ' 20' ' ' GLN . 2.1 p-80 -69.84 -35.36 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.515 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 22.8 mt-30 -60.46 -38.69 85.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.916 HD12 ' CD2' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -83.95 133.81 45.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.664 0.745 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.56 9.01 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.697 2.264 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.28 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.916 ' CD2' HD12 ' A' ' 21' ' ' LEU . 21.7 m-85 -89.42 -48.5 7.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.66 -51.33 21.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -40.94 -41.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.0 mtt -69.43 176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' MET . 1.3 p -103.46 158.41 16.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' THR . 14.7 tpt -35.89 -56.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -49.69 -66.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 122' ' ' ILE . 93.9 t -46.87 -54.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 28' ' ' THR . 44.9 mtt180 -45.69 -57.88 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.7 tmt_? -57.8 -58.34 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -40.46 -44.52 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HA ' HG22 ' A' ' 38' ' ' VAL . 29.3 mt -62.54 -45.68 91.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.6 t -59.72 -14.59 14.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -97.03 -8.01 31.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 35' ' ' LEU . 26.5 m -130.12 8.62 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.505 ' HE2' ' HB3' ' A' ' 39' ' ' MET . 2.1 ptp -103.13 135.9 43.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 41' ' ' PHE . 30.6 mt -82.39 160.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.552 ' N ' HG22 ' A' ' 40' ' ' ILE . 35.2 m-85 -111.23 109.36 19.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.5 150.0 51.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.26 120.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.3 t -84.04 129.85 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -93.92 -39.19 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.29 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' CG ' ' A' ' 107' ' ' ASP . . . -52.94 -175.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.0 33.23 2.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.5 141.37 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.063 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.728 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -79.54 110.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.077 HD11 HG23 ' A' ' 104' ' ' THR . 4.1 mm -74.28 -42.19 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 58' ' ' LEU . 64.3 mt -146.09 161.34 40.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -115.71 141.62 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -56.93 129.72 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.03 62.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.11 117.85 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.05 93.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 88' ' ' GLY . 6.3 mt -64.48 117.76 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 89' ' ' ILE . 44.4 t0 -121.59 -28.96 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.471 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 1.4 m -108.78 132.44 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -77.06 139.42 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.6 m-85 -118.32 128.87 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 24' ' ' PHE . 53.7 t -122.6 126.2 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.618 HD11 ' CG2' ' A' ' 69' ' ' VAL . 95.5 mt -66.78 110.45 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.45 -36.9 13.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -157.8 140.07 14.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.67 -176.63 33.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 81' ' ' LEU . 16.0 m -124.96 135.12 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.618 ' CG2' HD11 ' A' ' 64' ' ' ILE . 20.3 m -116.46 132.22 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -104.21 129.18 51.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 78' ' ' VAL . 36.6 mt -104.3 138.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 p -115.73 129.2 56.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.61 146.31 32.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.16 32.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.94 -39.43 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.94 32.63 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.48 161.31 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 71' ' ' ILE . 71.6 t -143.62 115.44 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.12 147.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.43 106.86 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 85' ' ' ASN . 40.0 mt -99.52 159.75 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.64 170.18 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.5 ttt -45.43 121.03 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.472 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 112.99 -28.92 8.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASN . . . . . 0.564 ' HB3' HD22 ' A' ' 81' ' ' LEU . 5.9 m120 -66.4 161.39 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.0 p -129.81 161.27 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -169.94 151.81 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.63 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 135.93 -104.12 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.45 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 7.6 pt -113.13 -178.49 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.0 160.68 26.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.27 3.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.1 p -97.23 148.98 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.596 HD21 ' CE3' ' A' ' 120' ' ' TRP . 18.3 mt -58.46 -19.17 34.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.26 149.59 32.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.29 168.39 10.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -152.69 161.69 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.423 ' O ' ' CE1' ' A' ' 99' ' ' HIS . 17.2 m-85 -125.17 134.86 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . 0.451 ' SD ' HD21 ' A' ' 58' ' ' LEU . 10.6 tpt -61.31 136.35 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.423 ' CE1' ' O ' ' A' ' 97' ' ' TYR . 45.8 m80 -115.9 34.99 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.23 -166.78 35.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.4 mt -126.59 122.6 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.5 t -93.11 134.88 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -149.34 132.18 16.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.077 HG23 HD11 ' A' ' 51' ' ' ILE . 74.6 p -63.11 160.06 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -109.33 -21.72 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.08 177.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -93.32 175.46 6.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 54.53 41.56 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 5.6 m -87.75 128.09 35.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -99.94 145.21 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -146.85 168.74 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 2.2 p -140.86 140.07 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 6.3 m -114.62 123.49 49.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.62 130.7 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.73 136.99 57.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 119' ' ' TYR . 20.3 tt0 -50.03 -61.35 2.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -44.22 -51.06 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.35 -24.01 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 116' ' ' GLN . 10.8 t80 -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.596 ' CE3' HD21 ' A' ' 93' ' ' LEU . 34.7 t90 -110.55 0.28 17.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -105.51 -12.08 16.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.631 HG22 HG13 ' A' ' 31' ' ' VAL . 89.5 mt -100.89 -53.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -58.68 5.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -54.99 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.5 m170 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.728 0.299 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.75 -49.57 77.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.12 -23.66 62.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.4 tp -86.94 -39.79 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.78 -52.49 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.4 -34.33 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -70.08 -54.75 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.551 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.8 mtp -50.94 -35.23 32.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH12 ' A' ' 32' ' ' ARG . 12.2 t-80 -58.17 -30.81 66.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -73.12 -48.18 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.586 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 24.5 mt -62.48 140.35 96.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -38.35 7.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.36 -26.44 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 38.8 m-85 -103.27 -26.77 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.67 -50.3 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' HG3' ' A' ' 27' ' ' MET . 15.7 p-10 -41.16 -50.27 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.429 ' HG3' ' ND2' ' A' ' 26' ' ' ASN . 17.7 mtt -73.34 167.16 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -96.66 175.84 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.4 OUTLIER -51.25 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' MET . 1.4 t -37.78 -64.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.463 HG12 HD11 ' A' ' 35' ' ' LEU . 70.3 t -43.49 -52.83 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.7 mtt180 -53.53 -55.54 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -50.6 59.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -56.09 -41.38 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' ARG . 9.7 mt -63.94 -46.54 84.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.92 -20.72 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -17.89 26.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 35' ' ' LEU . 17.2 m -120.97 18.0 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.676 ' SD ' HG21 ' A' ' 112' ' ' VAL . 2.8 ptp -111.36 145.26 39.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 112' ' ' VAL . 6.7 mt -100.17 147.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -103.57 115.36 30.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -125.71 148.3 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -138.73 113.78 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.46 123.23 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -93.63 -44.75 8.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.7 114.53 21.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.85 170.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.43 9.36 11.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.48 141.01 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -80.54 121.34 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 1.011 HD11 HG23 ' A' ' 104' ' ' THR . 4.0 mm -90.81 -40.27 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.533 ' HB2' HG23 ' A' ' 102' ' ' VAL . 78.1 mt -144.13 150.14 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -111.55 143.78 41.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 15.3 p-10 -60.44 126.37 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.41 25.97 41.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -106.05 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -39.53 106.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 11.5 mt -74.73 107.61 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -124.33 37.59 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.49 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 69.2 p -173.16 129.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TRP . . . . . 0.418 ' N ' HG12 ' A' ' 89' ' ' ILE . 25.6 t90 -79.45 143.11 35.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.497 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 48.2 m-85 -122.05 149.81 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG11 ' CE2' ' A' ' 24' ' ' PHE . 63.8 t -142.66 126.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.35 105.22 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.67 -42.63 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -152.05 148.96 28.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.87 -173.02 36.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.6 m -128.78 137.93 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.45 HG12 HG22 ' A' ' 104' ' ' THR . 20.8 m -121.61 151.83 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -124.39 136.93 54.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.0 mt -110.51 137.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -114.34 121.25 43.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -96.48 147.44 32.95 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.631 0.729 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.23 34.95 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.741 2.294 . . . . 0.0 112.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.39 29.84 0.89 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 149.33 44.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.4 t -130.06 109.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -81.98 146.72 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -123.41 110.2 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.3 153.68 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -134.52 170.84 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.9 ttt -42.8 118.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.439 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 119.83 -31.06 5.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -72.44 162.59 29.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -134.18 146.26 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.5 p90 -151.77 156.5 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.72 -132.77 6.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 23.9 pt -88.47 -175.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.01 160.52 33.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.586 0.708 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.75 2.42 3.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 94' ' ' ASP . 30.1 p -103.69 135.47 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.894 HD21 ' CE3' ' A' ' 120' ' ' TRP . 15.3 mt -41.63 -26.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.1 m-20 -47.58 132.41 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -92.58 146.93 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -136.64 163.52 30.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.86 140.2 52.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.16 130.35 46.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -106.95 28.35 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -174.77 -156.65 14.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.81 120.18 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.533 HG23 ' HB2' ' A' ' 52' ' ' LEU . 9.7 t -90.77 136.87 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -150.19 131.08 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . 1.011 HG23 HD11 ' A' ' 51' ' ' ILE . 73.2 p -65.34 159.85 23.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -111.14 -24.11 10.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.17 -176.62 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.22 173.86 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.19 25.51 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.1 m -72.74 130.89 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -103.21 136.42 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 82.5 m-85 -141.28 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' VAL . . . . . 0.676 HG21 ' SD ' ' A' ' 39' ' ' MET . 7.7 p -141.98 140.33 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -113.49 140.2 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.404 HD13 HD22 ' A' ' 35' ' ' LEU . 26.7 mt -138.6 125.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.21 158.03 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.11 -54.5 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -48.49 -42.53 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' HA ' ' CG ' ' A' ' 121' ' ' ARG . 14.3 m-20 -75.92 -26.23 56.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.508 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.8 t80 -80.05 -8.94 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TRP . . . . . 0.894 ' CE3' HD21 ' A' ' 93' ' ' LEU . 32.8 t90 -114.33 -10.55 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.406 ' CG ' ' HA ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -98.2 -21.92 16.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.445 HG22 HG13 ' A' ' 31' ' ' VAL . 94.2 mt -87.61 -54.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.54 -70.95 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -52.04 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -96.33 97.13 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.825 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -146.71 138.57 24.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.21 99.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -169.95 154.34 5.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 m -63.78 160.84 16.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.8 -65.23 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -41.38 -45.12 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -121.01 81.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.41 -52.56 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -47.98 -43.69 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HA ' HD12 ' A' ' 15' ' ' LEU . 12.0 mm-40 -50.1 -56.5 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -50.88 -37.99 46.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.62 -36.35 62.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD21 ' HA ' ' A' ' 33' ' ' ARG . 50.3 mt -55.84 -50.54 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.72 -40.26 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 1.1 t80 -71.8 -38.17 70.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.535 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 30.3 mmm -54.88 -42.63 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 22.9 t60 -61.84 -38.56 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -51.78 -42.26 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.601 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 17.6 mt -79.8 142.6 56.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -46.1 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.723 2.282 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.44 64.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.743 ' CE2' HG11 ' A' ' 63' ' ' VAL . 13.1 m-85 -86.64 -9.69 55.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.46 -29.34 16.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -45.75 -28.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.18 149.32 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.734 HG22 HG23 ' A' ' 31' ' ' VAL . 6.8 t -50.63 169.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' ARG . 5.4 tpp -62.38 -55.72 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 m -37.95 -49.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.838 HG13 HG22 ' A' ' 122' ' ' ILE . 57.9 t -57.72 -39.46 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' MET . 52.4 mtt180 -61.04 -55.0 37.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.696 ' HA ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -55.48 -41.81 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 24.7 mt-10 -62.14 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HA ' HG22 ' A' ' 38' ' ' VAL . 14.7 mt -61.08 -41.34 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.29 -17.94 23.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 m -95.63 -9.96 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 35' ' ' LEU . 4.4 m -127.27 16.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.708 ' SD ' HG21 ' A' ' 112' ' ' VAL . 5.8 ptp -112.6 137.64 50.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 112' ' ' VAL . 16.3 mt -84.53 158.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . 44.7 m-85 -108.76 116.84 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -142.14 142.41 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -146.97 117.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 49' ' ' ALA . 99.5 t -76.74 128.06 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -93.78 -42.04 9.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -87.5 103.74 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' CG ' ' A' ' 107' ' ' ASP . . . -50.05 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.06 30.03 22.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -94.9 144.44 25.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.724 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -79.84 125.47 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.951 HD11 HG23 ' A' ' 104' ' ' THR . 3.6 mm -93.8 -39.91 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.9 mt -148.32 143.42 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 1.8 mp0 -103.42 160.21 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -74.87 128.31 35.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 30.59 14.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -109.71 126.91 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.34 95.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 88' ' ' GLY . 12.3 mt -67.21 115.28 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -122.22 -5.39 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.4 m -125.63 147.9 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -93.85 132.53 38.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 20.2 m-85 -112.63 142.67 44.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.743 HG11 ' CE2' ' A' ' 24' ' ' PHE . 86.2 t -138.05 124.88 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.33 106.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.39 -37.92 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -154.4 149.11 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.13 175.49 50.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 81' ' ' LEU . 30.9 m -112.94 144.9 41.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.8 m -126.66 132.84 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -105.55 136.54 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.605 ' O ' HG13 ' A' ' 78' ' ' VAL . 61.7 mt -113.0 139.68 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -120.72 140.66 51.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.39 151.9 44.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.4 29.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' GLY . 2.6 p30 -73.61 -37.44 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . 132.52 27.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -117.57 144.63 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 71' ' ' ILE . 39.8 t -132.86 111.08 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.42 158.79 23.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.15 107.85 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 68' ' ' THR . 14.7 mt -106.33 153.78 21.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' MET . 37.3 m-85 -132.62 163.56 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' PHE . 12.6 ttt -35.32 120.49 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.57 -36.61 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.67 165.09 6.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.5 p -132.63 153.36 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 27.8 p90 -161.76 157.32 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.557 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 131.94 -95.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 9.0 pt -134.21 168.27 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.33 159.52 33.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.504 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.83 2.92 3.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.3 p -100.03 136.38 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.723 HD21 ' CE3' ' A' ' 120' ' ' TRP . 94.8 mt -40.69 -32.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -51.06 124.91 12.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.66 172.99 11.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.7 162.32 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -121.0 134.49 55.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 tpt -60.25 129.39 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.52 39.2 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.34 -178.01 45.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 77.2 mt -116.7 125.78 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.1 t -97.99 141.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -150.91 130.85 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.951 HG23 HD11 ' A' ' 51' ' ' ILE . 74.1 p -60.15 155.49 17.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -104.54 -26.57 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.2 m -133.7 170.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.449 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -85.44 175.39 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 54.21 43.25 30.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 7.3 m -88.28 124.17 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -98.58 149.71 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 70.7 m-85 -153.52 174.07 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.708 HG21 ' SD ' ' A' ' 39' ' ' MET . 6.4 p -145.78 137.72 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -114.41 125.69 54.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.554 HD13 HD22 ' A' ' 35' ' ' LEU . 71.4 mt -125.41 128.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.98 147.01 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.34 -58.38 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -41.72 -60.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 -25.44 66.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.1 t80 -77.31 -19.01 57.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.99 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.723 ' CE3' HD21 ' A' ' 93' ' ' LEU . 48.0 t90 -109.43 1.62 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -103.81 -11.53 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.838 HG22 HG13 ' A' ' 31' ' ' VAL . 71.2 mt -103.37 -63.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.476 ' HG ' HG11 ' A' ' 31' ' ' VAL . 4.3 mp -55.12 -44.74 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -81.24 -175.94 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -111.49 65.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 127' ' ' GLU . 76.1 t -82.98 157.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.494 ' N ' HG12 ' A' ' 126' ' ' VAL . 27.7 mt-10 -36.35 -57.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -80.72 111.22 16.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 26.6 m -59.11 -56.6 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.25 168.09 12.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.515 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.78 52.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.32 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.8 m -87.28 104.18 16.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 77.4 p -125.01 90.13 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -144.55 177.26 8.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.909 0.385 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -40.1 -61.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.98 -158.68 18.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -76.91 170.49 16.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -112.61 105.05 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.61 74.24 1.01 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.23 -53.9 47.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.1 51.7 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -53.99 -49.95 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -52.39 -51.31 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -52.95 -30.55 35.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -77.26 -24.32 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' PHE . 3.9 mt -84.61 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD21 ' CA ' ' A' ' 33' ' ' ARG . 64.1 mt -34.22 -58.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -45.11 -42.3 8.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.9 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.7 t80 -74.24 -38.08 63.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 24' ' ' PHE . 35.0 mtp -71.82 -11.97 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -84.9 -15.4 44.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -100.11 -2.41 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.9 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 40.1 mt -102.69 143.04 25.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -43.5 2.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.43 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 18' ' ' MET . 9.2 m-85 -101.73 -22.19 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.99 -32.15 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -46.45 -50.85 16.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.48 165.94 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.816 HG23 HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -74.27 157.25 36.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -46.82 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.4 p -45.16 -34.59 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG23 HG23 ' A' ' 28' ' ' THR . 89.4 t -69.78 -38.47 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.682 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.4 mtt180 -56.13 -67.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CA ' HD21 ' A' ' 15' ' ' LEU . 1.5 tmt_? -46.15 -40.39 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.42 -44.86 86.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 32' ' ' ARG . 14.1 mt -53.0 -51.99 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.419 ' SG ' HD13 ' A' ' 14' ' ' LEU . 2.1 t -44.9 -21.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' LEU . 4.9 t -69.61 -40.06 76.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.67 HG11 ' OD2' ' A' ' 118' ' ' ASP . 29.5 m -117.05 24.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.942 ' SD ' HD11 ' A' ' 114' ' ' ILE . 4.0 mmm -88.06 127.35 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.634 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 mm -86.32 160.96 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 40' ' ' ILE . 57.3 m-85 -124.31 110.71 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -137.47 142.22 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.684 HG22 ' HG2' ' A' ' 110' ' ' GLN . 90.4 t -140.72 125.99 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 49' ' ' ALA . 92.3 t -95.8 123.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -92.56 -38.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -81.41 115.55 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 172.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 54.65 22.35 24.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -79.75 139.39 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.069 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.729 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.7 mp -80.06 113.51 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.057 HD11 HG23 ' A' ' 104' ' ' THR . 3.1 mm -77.87 -41.56 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 32.5 mt -148.93 158.86 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -111.86 169.48 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -82.7 138.8 33.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.52 65.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -125.84 122.29 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -56.73 104.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' HB2' HG22 ' A' ' 89' ' ' ILE . 8.3 mt -79.69 121.41 25.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.49 23.59 8.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.592 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 45.1 p -157.81 118.31 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 26.2 t90 -71.79 133.06 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 60' ' ' SER . 44.4 m-85 -110.78 143.18 41.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 64.2 t -135.36 127.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.09 107.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.647 HD11 ' HB ' ' A' ' 112' ' ' VAL . 78.6 mt -93.57 -33.04 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.4 147.84 19.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.86 -178.72 51.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' LEU . 54.1 m -119.55 136.24 54.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.34 133.26 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -110.09 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.547 HG12 HG22 ' A' ' 102' ' ' VAL . 45.4 mt -107.75 138.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -119.9 133.34 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -106.19 146.26 32.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.88 37.28 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -78.13 -44.0 27.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.19 36.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -132.1 150.98 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 71' ' ' ILE . 48.3 t -135.71 109.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.56 139.47 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.69 115.84 25.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 85' ' ' ASN . 9.8 mt -106.74 159.23 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -139.52 171.03 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 20.0 ttt -39.3 119.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.542 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 119.0 -43.76 1.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.559 ' HB3' HD22 ' A' ' 81' ' ' LEU . 18.5 m120 -64.56 164.65 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -138.17 158.32 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 36.0 p90 -157.48 158.95 36.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 132.9 -105.65 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.3 pt -121.04 -179.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.43 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -107.92 159.43 30.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.553 0.692 . . . . 0.0 111.174 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 2.81 3.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' ASP . 77.5 p -91.95 133.15 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.536 HD21 ' CE3' ' A' ' 120' ' ' TRP . 47.1 mt -43.05 -23.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.2 m-20 -52.7 171.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -126.59 141.11 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.43 ' OE1' ' N ' ' A' ' 90' ' ' THR . 0.5 OUTLIER -127.36 157.2 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -121.86 125.46 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -44.79 134.65 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -110.96 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.87 -158.44 15.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.75 124.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.547 HG22 HG12 ' A' ' 71' ' ' ILE . 21.2 t -95.68 135.29 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -146.01 131.28 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.057 HG23 HD11 ' A' ' 51' ' ' ILE . 34.1 p -65.32 152.69 43.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -100.78 -24.93 14.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.7 m -134.61 178.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.01 167.84 10.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.3 t0 67.21 33.48 5.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 8.6 m -79.7 139.17 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.684 ' HG2' HG22 ' A' ' 43' ' ' VAL . 52.6 mt-30 -112.26 131.94 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 109' ' ' CYS . 51.9 m-85 -138.75 154.7 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.647 ' HB ' HD11 ' A' ' 65' ' ' LEU . 7.3 p -126.26 141.51 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.427 ' C ' HG13 ' A' ' 114' ' ' ILE . 94.3 m -116.22 150.13 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.942 HD11 ' SD ' ' A' ' 39' ' ' MET . 63.3 mt -146.11 125.41 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.97 137.99 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' TYR . 16.3 tt0 -49.94 -64.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -40.22 -58.27 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.67 ' OD2' HG11 ' A' ' 38' ' ' VAL . 2.3 m-20 -61.25 -26.81 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.4 t80 -75.35 -26.99 59.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.549 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 64.3 t90 -101.44 6.61 42.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -100.37 -22.26 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.595 ' CG2' HG13 ' A' ' 31' ' ' VAL . 55.2 mt -96.56 -71.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 123' ' ' LEU . 5.1 mp -44.2 -43.71 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.438 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.5 m120 -74.87 -175.06 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -120.67 49.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.64 -13.85 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -130.34 157.92 41.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -123.42 40.37 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.1 m -166.95 168.68 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.25 144.93 15.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 88.8 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.368 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.9 m -57.46 140.59 50.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.6 p -136.51 142.51 43.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -130.64 153.23 49.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -108.15 143.6 36.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.09 -145.34 37.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -148.9 129.56 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -77.55 88.23 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.13 -156.82 7.34 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -131.25 -54.96 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.06 43.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -48.81 -44.02 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.03 -38.13 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -64.17 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.38 -23.01 35.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' SG ' ' A' ' 36' ' ' CYS . 33.2 tp -86.41 -52.0 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -43.92 -58.18 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -40.59 -35.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -80.5 -41.8 23.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.524 ' HG2' ' CG ' ' A' ' 24' ' ' PHE . 21.9 mtp -65.96 -12.45 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -82.71 -42.41 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' PHE . 9.0 pt20 -66.64 -25.42 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.587 HD22 ' HA2' ' A' ' 84' ' ' GLY . 7.5 mt -79.72 141.05 55.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -50.95 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.91 -38.3 67.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 23.6 m-85 -82.6 -28.71 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.78 -30.87 61.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -41.0 -38.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.62 -176.83 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 30' ' ' SER . 10.2 t -89.76 -178.68 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.1 mtp -74.27 -15.21 60.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.634 ' H ' HG23 ' A' ' 28' ' ' THR . 6.3 t -74.62 -28.94 61.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG13 HG22 ' A' ' 122' ' ' ILE . 77.6 t -82.23 -40.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -45.07 -46.75 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' 122' ' ' ILE . 35.4 mm-40 -57.67 -43.21 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.814 HD22 HD13 ' A' ' 114' ' ' ILE . 20.8 mt -62.13 -49.64 75.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 14' ' ' LEU . 32.5 t -48.01 -20.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -72.46 -36.43 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 118' ' ' ASP . 21.2 m -116.54 25.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.486 ' HE1' ' HE3' ' A' ' 18' ' ' MET . 10.6 mtt -88.86 134.8 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.687 HD12 ' HB3' ' A' ' 113' ' ' CYS . 6.1 mt -103.14 134.06 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -96.4 120.54 36.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -141.07 143.53 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.567 HG22 ' HG2' ' A' ' 110' ' ' GLN . 59.8 t -133.46 134.49 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.65 123.96 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -94.87 -44.41 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 42.2 mt-30 -74.62 100.36 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.0 164.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.15 20.14 53.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 46' ' ' GLN . . . -74.5 149.17 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -85.44 119.93 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.947 HD11 HG23 ' A' ' 104' ' ' THR . 3.3 mm -84.81 -41.77 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 51' ' ' ILE . 45.9 mt -146.16 158.5 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -117.13 150.11 39.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.72 121.85 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 16.49 43.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -94.65 114.41 26.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.05 92.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 89' ' ' ILE . 16.9 mt -62.44 128.73 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -133.51 12.07 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 m -149.02 139.55 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.651 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 25.1 t90 -85.33 134.73 34.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -118.02 137.41 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.49 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 60.4 t -133.22 125.62 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.4 HD11 ' CG2' ' A' ' 69' ' ' VAL . 20.0 mt -66.55 117.69 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' HB ' ' A' ' 112' ' ' VAL . 67.6 mt -98.22 -35.88 10.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -156.51 143.82 19.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.73 -173.05 30.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.6 m -128.95 134.7 48.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG12 HG22 ' A' ' 104' ' ' THR . 16.2 m -120.62 140.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -111.67 147.48 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.67 HD11 HD11 ' A' ' 81' ' ' LEU . 45.7 mt -126.0 143.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -128.98 134.36 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 60.4 m80 -100.99 148.44 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.89 33.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.34 -44.71 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.21 41.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -133.42 159.79 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.891 0.377 . . . . 0.0 110.864 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 71' ' ' ILE . 58.5 t -144.24 117.11 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -91.56 154.72 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.83 109.26 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.67 HD11 HD11 ' A' ' 71' ' ' ILE . 6.5 mt -103.76 158.19 16.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 83' ' ' MET . 63.2 m-85 -140.37 164.74 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.5 ttt -37.68 118.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.587 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 117.31 -33.14 5.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB3' HD22 ' A' ' 81' ' ' LEU . 5.2 m120 -61.41 -179.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.8 p -152.08 148.36 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -158.63 148.63 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.07 -115.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.527 HG23 ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -109.91 -175.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.22 158.96 33.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 2.65 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 146.5 23.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.608 HD21 ' CE3' ' A' ' 120' ' ' TRP . 9.7 mt -52.0 -24.73 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.59 136.13 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -138.22 144.33 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.78 141.82 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.06 147.32 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.31 15.01 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.46 -158.35 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.0 mt -131.84 127.6 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.01 135.07 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -146.75 130.82 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.947 HG23 HD11 ' A' ' 51' ' ' ILE . 27.2 p -61.01 163.2 6.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -111.61 -25.02 9.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 m -134.68 -176.33 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.84 -178.73 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.05 30.19 9.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.7 m -79.17 117.32 20.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.567 ' HG2' HG22 ' A' ' 43' ' ' VAL . 71.4 mt-30 -95.03 141.97 28.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.6 m-85 -143.47 160.18 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.587 ' HB ' HD11 ' A' ' 65' ' ' LEU . 8.5 p -126.49 145.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.687 ' HB3' HD12 ' A' ' 40' ' ' ILE . 1.8 t -119.36 143.75 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.814 HD13 HD22 ' A' ' 35' ' ' LEU . 56.2 mt -145.91 120.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.26 154.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.41 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.41 -59.75 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.871 ' HB3' HG21 ' A' ' 38' ' ' VAL . 71.1 m-20 -55.69 -31.62 62.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.651 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 6.4 t80 -75.97 -15.98 60.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.608 ' CE3' HD21 ' A' ' 93' ' ' LEU . 43.8 t90 -110.27 1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -105.19 4.76 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.455 HG22 HG13 ' A' ' 31' ' ' VAL . 29.1 mt -122.68 -54.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.26 -31.69 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.587 ' OD1' ' CD1' ' A' ' 120' ' ' TRP . 3.4 m-80 -75.9 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -100.86 31.98 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 127' ' ' GLU . 4.4 p -77.12 155.54 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 126' ' ' VAL . 8.8 tp10 -34.9 140.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -32.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.3 m -38.99 99.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -115.18 -100.55 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -26.21 27.92 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.739 2.293 . . . . 0.0 112.321 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.6 p -87.74 171.44 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.1 m -102.95 132.01 49.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -113.72 134.66 54.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -117.2 134.34 54.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.74 57.44 0.49 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m -145.85 130.13 17.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.7 p -50.22 135.69 20.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.58 78.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.88 -44.42 32.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -111.06 36.09 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -48.4 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.479 HG21 ' HG2' ' A' ' 33' ' ' ARG . 48.3 mt -61.02 -62.76 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -38.19 -56.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -52.25 -40.29 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' ILE . 32.4 tp -69.02 -44.1 73.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 33' ' ' ARG . 84.1 mt -50.32 -45.23 54.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.4 -47.91 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.0 t80 -60.14 -57.98 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.566 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 13.7 mtp -44.25 -40.28 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -52.78 -38.48 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.66 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 16.4 mt -65.64 138.94 96.89 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.553 0.692 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.0 4.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.9 -20.02 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 4.5 m-85 -99.64 -36.56 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.88 -30.67 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -41.57 -35.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.89 164.09 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 t -79.73 156.49 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' SER . 4.1 mmt -38.03 -54.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' MET . 53.0 m -35.66 -64.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 54.2 t -46.71 -54.09 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' LEU . 73.1 mtt180 -48.16 -72.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HA ' HD21 ' A' ' 15' ' ' LEU . 1.2 tmt_? -38.38 -47.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.55 -43.48 84.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.937 HD22 HD13 ' A' ' 114' ' ' ILE . 12.1 mt -61.6 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.63 -18.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -71.63 -33.2 68.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 118' ' ' ASP . 18.4 m -120.9 24.16 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.43 ' HE1' ' HE3' ' A' ' 18' ' ' MET . 5.1 mtt -82.6 127.91 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 112' ' ' VAL . 87.7 mt -93.65 146.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.14 122.28 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -139.44 149.94 44.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.0 t -149.27 126.81 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.29 124.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.4 -43.72 10.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -87.28 120.34 28.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 173.19 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.39 11.36 20.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 140.38 45.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -77.51 129.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.129 HD11 HG23 ' A' ' 104' ' ' THR . 2.7 mm -96.41 -38.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.4 mt -151.27 128.42 11.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.96 153.43 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.95 135.02 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.86 31.78 38.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.41 113.16 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.59 101.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.638 ' HB2' HG22 ' A' ' 89' ' ' ILE . 3.8 mt -75.14 130.67 39.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 14.21 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.7 m -147.6 139.56 24.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.481 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 26.1 t90 -85.62 137.27 32.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 28.5 m-85 -113.73 149.72 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 94.3 t -147.84 116.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 85' ' ' ASN . 17.4 mt -57.19 116.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 ' HB ' ' A' ' 112' ' ' VAL . 93.0 mt -97.19 -28.37 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -166.14 144.95 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.76 -158.29 23.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 81' ' ' LEU . 88.1 m -141.45 140.35 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -123.07 131.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -104.23 131.4 51.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.735 ' O ' HG13 ' A' ' 78' ' ' VAL . 62.6 mt -108.24 143.39 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -129.64 140.66 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -113.21 149.88 42.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.37 34.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.84 -41.71 20.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.73 32.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -125.49 148.79 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 71' ' ' ILE . 38.3 t -136.88 107.01 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.3 165.19 24.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -138.74 115.18 10.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 71' ' ' ILE . 14.8 mt -113.23 154.29 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -137.53 171.34 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.1 ttt -42.71 114.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 123.04 -35.2 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.488 ' HB2' HD12 ' A' ' 64' ' ' ILE . 7.0 m120 -61.29 174.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.3 p -144.7 138.18 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -146.44 162.68 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.92 -118.2 2.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 58' ' ' LEU . 9.9 pt -113.11 172.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -93.36 156.86 39.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.1 Cg_endo -69.75 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.355 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.7 p -98.22 135.34 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.492 HD21 ' CE3' ' A' ' 120' ' ' TRP . 35.8 mt -40.14 -34.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.502 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 34.5 m-20 -46.19 146.92 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -103.45 156.25 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 2.7 mp0 -138.29 173.15 11.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -130.58 131.49 45.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.4 tpt -49.31 104.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -82.35 40.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.11 38.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.1 mt -125.04 133.2 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.3 t -107.87 136.25 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -142.49 130.96 22.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.129 HG23 HD11 ' A' ' 51' ' ' ILE . 36.8 p -57.77 161.38 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.15 -26.18 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.51 176.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -94.51 173.54 7.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.34 28.4 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 17.7 m -76.82 131.26 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.2 140.67 37.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.8 m-85 -146.27 155.99 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' A' ' 65' ' ' LEU . 13.4 p -125.71 149.82 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.501 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 3.3 m -128.44 137.56 51.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.937 HD13 HD22 ' A' ' 35' ' ' LEU . 42.4 mt -135.39 120.12 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.6 147.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.03 -57.53 12.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -46.12 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.592 ' HB3' HG21 ' A' ' 38' ' ' VAL . 60.7 m-20 -54.74 -35.83 64.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 14.2 t80 -68.83 -19.7 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.538 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 21.3 t90 -110.52 0.42 17.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -103.06 1.54 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 57.0 mt -115.86 -56.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.15 -49.22 72.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.423 ' CG ' ' CD1' ' A' ' 120' ' ' TRP . 11.6 m120 -63.66 177.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -110.59 56.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 129' ' ' SER . 6.4 p -91.42 137.17 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -84.96 152.45 23.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp 61.62 48.83 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.441 ' HB2' HG13 ' A' ' 126' ' ' VAL . 2.6 m -156.07 152.49 28.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.82 145.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 141.18 44.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -109.9 152.76 25.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.8 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.2 t -113.74 103.24 11.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 m -71.68 91.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -63.59 158.47 21.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 -146.01 6.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -61.78 141.25 58.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -138.74 122.97 18.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.21 -153.75 20.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -127.88 -50.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -114.02 74.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.02 -50.79 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.26 -54.35 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.41 -40.34 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -73.64 -38.18 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.2 mt -67.48 -62.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HB3' ' HE1' ' A' ' 29' ' ' MET . 70.2 mt -34.36 -61.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.723 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 8.4 t80 -65.14 -61.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.51 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 16.2 mtp -41.25 -30.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.469 ' CG ' HH12 ' A' ' 32' ' ' ARG . 18.5 t-80 -63.88 -43.52 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -58.12 -42.22 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.723 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 7.3 mt -72.63 138.91 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -46.3 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -35.29 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 7.0 m-85 -84.43 -20.21 32.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.82 -28.26 40.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -47.43 -40.92 19.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.96 -177.25 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.821 HG22 HG23 ' A' ' 31' ' ' VAL . 6.0 t -94.69 145.37 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.508 ' HE1' ' HB3' ' A' ' 15' ' ' LEU . 11.2 tpt -36.73 -43.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -53.33 -57.78 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.821 HG23 HG22 ' A' ' 28' ' ' THR . 93.8 t -48.35 -41.73 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 84.0 mtt180 -48.6 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -39.9 -53.26 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' HB2' HG21 ' A' ' 122' ' ' ILE . 63.2 mm-40 -47.61 -40.19 18.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.785 HD22 HD13 ' A' ' 114' ' ' ILE . 22.8 mt -67.9 -47.14 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -49.5 -26.33 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -74.73 -32.96 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.64 17.13 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' HD11 ' A' ' 114' ' ' ILE . 9.0 mtt -81.38 129.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 112' ' ' VAL . 51.0 mt -94.56 143.74 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -99.26 120.36 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -142.07 137.43 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -139.26 137.15 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG11 ' HB3' ' A' ' 49' ' ' ALA . 52.6 t -102.81 123.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.87 -42.17 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.32 125.39 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 170.38 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 60.45 12.54 26.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -67.11 138.38 57.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.301 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.725 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -78.37 119.21 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 104' ' ' THR . 1.9 mm -84.85 -42.14 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.7 mt -148.16 128.09 13.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.49 146.66 23.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 8.9 p-10 -59.0 106.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.42 23.35 6.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' LEU . 63.4 tt0 -99.26 105.82 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -44.46 95.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 88' ' ' GLY . 3.3 mt -68.65 119.78 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.66 -5.21 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 m -127.89 143.31 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -87.17 125.43 34.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.61 134.93 49.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.37 127.28 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mt -62.92 112.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.1 mt -89.52 -43.83 10.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -154.09 130.09 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.43 -166.79 12.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.3 m -128.83 148.24 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.09 138.04 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -111.44 141.15 45.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.446 HD11 ' CD1' ' A' ' 81' ' ' LEU . 37.2 mt -115.77 134.29 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -120.65 140.5 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -110.81 151.21 42.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -16.76 37.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.69 -46.36 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 32.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -128.55 151.04 49.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 71' ' ' ILE . 39.0 t -137.16 117.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -88.02 170.34 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.68 112.28 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.997 HD22 ' ND2' ' A' ' 85' ' ' ASN . 19.4 mt -111.77 153.13 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -133.0 170.97 14.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 21.1 ttt -41.48 113.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.48 -34.06 2.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.997 ' ND2' HD22 ' A' ' 81' ' ' LEU . 8.8 t-20 -63.91 175.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 85.5 p -147.41 145.14 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -162.14 149.66 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.617 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 145.94 -87.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG22 ' HB2' ' A' ' 58' ' ' LEU . 6.8 pt -140.67 164.67 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 59.9 p -86.67 151.84 53.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.77 2.77 3.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' ASP . 12.3 p -99.72 138.3 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 11.0 mt -36.97 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.1 m-20 -53.48 143.31 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 32.6 mtpt -94.29 -175.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.541 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -169.9 160.93 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -121.89 153.76 38.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -72.15 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.407 ' N ' ' SD ' ' A' ' 98' ' ' MET . 4.5 m-70 -95.83 46.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 166.75 -159.16 32.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -135.16 118.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.0 t -93.47 141.19 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.403 HH21 ' CA ' ' A' ' 48' ' ' GLY . 9.4 mtp180 -149.8 135.22 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.872 HG23 HD11 ' A' ' 51' ' ' ILE . 18.1 p -64.53 161.4 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -112.43 -13.37 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.48 -179.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.23 162.36 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t70 64.87 48.16 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.0 m -95.62 132.7 40.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -97.55 140.51 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 94.8 m-85 -144.02 162.15 36.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.8 p -134.45 142.83 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.89 129.57 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.785 HD13 HD22 ' A' ' 35' ' ' LEU . 53.2 mt -126.25 120.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.55 145.59 6.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -55.1 -65.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -38.06 -68.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -49.97 -32.97 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.6 t80 -71.1 -34.74 71.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.589 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 23.2 t90 -95.32 -0.69 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -99.3 -2.83 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.754 HG22 HG13 ' A' ' 31' ' ' VAL . 76.5 mt -111.54 -50.55 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -69.53 -25.02 63.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.589 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 8.0 m120 -91.9 -175.34 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -120.25 69.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 t -85.72 -8.5 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 44.81 52.36 8.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -121.99 34.07 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.9 m 58.82 54.09 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 56.79 -157.86 10.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 101.14 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.282 . . . . 0.0 112.349 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.7 m -126.23 112.73 16.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.7 t -126.82 84.74 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -87.44 122.42 31.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -67.23 -45.99 75.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.45 -80.57 1.39 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -92.87 90.64 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.842 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -77.67 119.97 21.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.37 -155.56 1.06 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -89.77 -48.76 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -128.42 86.51 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.26 -58.31 9.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.443 HD13 ' SG ' ' A' ' 36' ' ' CYS . 5.4 mm -46.25 -45.59 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.29 -41.5 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -18.01 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 7.6 tp -93.72 -40.72 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.471 HD22 ' SD ' ' A' ' 29' ' ' MET . 19.2 mt -60.21 -55.3 35.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -42.35 -36.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.5 t80 -69.83 -52.12 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.481 ' HE2' ' HB3' ' A' ' 32' ' ' ARG . 53.5 mtp -51.88 -28.54 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.2 -29.2 68.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -69.54 -45.57 68.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 35.5 mt -70.89 140.27 86.1 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 -39.28 6.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -21.04 63.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CZ ' ' HE1' ' A' ' 39' ' ' MET . 9.2 m-85 -102.42 -40.13 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.65 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -49.03 -33.59 11.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.18 166.9 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -74.73 178.73 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.189 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.471 ' SD ' HD22 ' A' ' 15' ' ' LEU . 6.5 tpp -64.0 -54.29 36.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -38.53 -59.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 t -50.14 -45.09 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 71.8 mtt180 -57.77 -63.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -51.6 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' OE2' ' CG ' ' A' ' 131' ' ' PRO . 0.2 OUTLIER -54.26 -49.87 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 114' ' ' ILE . 20.2 mt -51.02 -49.73 59.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 9.3 t -47.19 -24.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -68.38 -39.33 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.519 HG23 HG23 ' A' ' 114' ' ' ILE . 32.1 m -110.92 23.47 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.565 ' HE1' ' CZ ' ' A' ' 24' ' ' PHE . 9.6 mtt -87.55 121.16 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 40' ' ' ILE . 4.9 mm -89.64 148.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -108.87 109.8 20.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -140.89 137.71 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.83 140.43 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' HB3' ' A' ' 49' ' ' ALA . 85.3 t -97.31 122.63 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.42 -39.2 19.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -90.21 119.09 30.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.11 170.28 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.32 49.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.668 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -76.31 144.9 39.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.708 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -82.49 123.44 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 104' ' ' THR . 3.4 mm -92.32 -40.35 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.2 mt -146.3 151.9 38.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -111.31 143.86 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 2.8 p-10 -64.18 110.03 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.29 7.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -104.11 119.39 38.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.74 100.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.568 ' HB2' HG22 ' A' ' 89' ' ' ILE . 3.9 mt -72.49 123.33 22.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -132.54 20.11 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -153.3 134.47 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.531 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 23.7 t90 -81.08 134.06 35.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 36.1 m-85 -112.66 143.52 43.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 87.7 t -140.21 118.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -58.31 113.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -89.25 -42.58 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -155.53 133.81 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.3 -178.93 24.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 81' ' ' LEU . 94.4 m -120.43 133.02 55.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 111' ' ' PHE . 27.9 m -113.81 139.07 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.93 136.77 52.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 78' ' ' VAL . 25.0 mt -115.26 142.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.7 m -128.63 136.42 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -106.99 152.03 40.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.11 37.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.95 -46.81 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.58 32.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.459 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -125.16 150.8 46.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 71' ' ' ILE . 61.8 t -135.99 110.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -87.71 142.04 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.64 115.42 23.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 16.1 mt -109.8 155.95 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.46 167.5 20.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.9 ttt -41.72 118.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 120.34 -32.11 5.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -66.76 167.43 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -133.51 149.41 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 5.9 p90 -162.41 154.65 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 138.19 -102.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.568 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.3 pt -127.97 177.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.8 p -95.69 152.37 39.08 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.1 Cg_endo -69.76 2.4 3.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 48.9 p -96.08 152.03 18.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.528 HD21 ' CE3' ' A' ' 120' ' ' TRP . 8.5 mt -51.44 -21.83 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -58.74 162.81 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -116.93 -175.66 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.3 159.96 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.96 147.0 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.78 120.85 13.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.82 40.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 167.85 -163.0 36.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.75 129.52 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.437 HG22 HG12 ' A' ' 71' ' ' ILE . 11.6 t -101.78 142.47 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -151.99 130.87 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.872 HG23 HD11 ' A' ' 51' ' ' ILE . 67.7 p -59.6 156.2 13.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -103.54 -25.37 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.04 177.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 178.69 6.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 50.75 45.63 26.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.8 m -94.76 119.34 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -95.07 143.06 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 90.0 m-85 -144.12 151.85 40.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 10.6 p -121.06 147.19 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.438 ' C ' HG13 ' A' ' 114' ' ' ILE . 98.6 m -124.23 149.38 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.747 HD13 HD22 ' A' ' 35' ' ' LEU . 62.3 mt -146.42 124.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.49 145.86 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 119' ' ' TYR . 4.3 tt0 -65.21 -64.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -41.6 -34.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 20.1 m-20 -87.84 -28.6 21.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.531 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 16.7 t80 -74.16 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.528 ' CE3' HD21 ' A' ' 93' ' ' LEU . 23.8 t90 -109.52 -11.23 14.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.491 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 2.9 ptp180 -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.76 -62.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.77 -64.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -54.34 -175.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -120.11 47.68 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 121' ' ' ARG . 2.4 p -85.52 108.07 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -69.86 71.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -114.84 -52.03 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 m -173.24 -179.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.76 -172.63 27.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.448 ' CG ' ' OE2' ' A' ' 34' ' ' GLU . 53.1 Cg_endo -69.78 87.09 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.7 m -68.83 101.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.8 m -156.37 122.24 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.496 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -60.53 117.31 5.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -67.98 92.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.98 145.76 40.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -97.15 97.52 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.818 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -76.47 173.49 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.795 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.83 -69.29 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -59.92 -59.76 4.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.12 82.87 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -63.71 -60.17 3.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 mm -42.27 -45.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -65.85 -39.42 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -33.53 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' SG ' ' A' ' 36' ' ' CYS . 14.0 tp -73.95 -42.44 60.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.7 mt -59.58 -64.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 5.5 pt-20 -36.09 -37.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -73.33 -55.32 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.5 mtp -46.23 -44.61 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -54.27 -34.01 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -63.46 -48.2 78.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 23.4 mt -67.75 143.05 96.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -42.89 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.27 -36.43 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.08 -40.03 11.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.54 -33.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -54.19 -48.71 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 167.97 13.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 HG23 ' A' ' 31' ' ' VAL . 8.4 t -92.41 149.98 21.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -34.2 -60.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.7 m -41.25 -64.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 28' ' ' THR . 42.8 t -40.83 -58.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' VAL . 54.8 mtt180 -36.96 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.58 -54.46 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -49.23 -51.13 35.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.687 HD22 HD13 ' A' ' 114' ' ' ILE . 10.2 mt -50.67 -50.15 55.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' SG ' HD23 ' A' ' 14' ' ' LEU . 50.8 t -50.35 -28.23 7.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.8 t -68.11 -30.08 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 118' ' ' ASP . 27.9 m -120.84 25.26 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.471 ' SD ' HG21 ' A' ' 112' ' ' VAL . 7.5 mtt -89.55 153.84 20.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.672 HD12 ' HB2' ' A' ' 113' ' ' CYS . 62.8 mt -114.61 145.55 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.08 115.98 31.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -137.85 139.07 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 110' ' ' GLN . 49.4 t -137.69 125.44 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 49' ' ' ALA . 60.4 t -91.2 123.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -94.72 -44.05 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -83.3 104.8 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.13 166.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 62.31 18.41 58.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -76.68 140.85 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.723 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -75.96 122.17 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 104' ' ' THR . 4.5 mm -86.47 -37.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 48.7 mt -153.76 146.7 24.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -99.86 149.36 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 1.2 p-10 -70.35 121.39 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.1 41.64 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -125.79 108.57 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 39.2 tt0 -38.49 109.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.3 mt -80.31 121.19 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -128.71 31.11 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.8 p -166.5 136.53 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.421 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 24.8 t90 -85.89 141.71 29.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.3 m-85 -119.13 142.45 47.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.421 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 95.4 t -137.67 129.31 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.7 mt -69.56 116.82 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 112' ' ' VAL . 23.6 mt -98.84 -33.91 10.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -161.82 132.89 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.84 -178.0 25.73 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -122.35 133.35 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.145 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.39 146.73 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -117.25 136.65 52.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.702 ' O ' HG13 ' A' ' 78' ' ' VAL . 44.6 mt -119.5 137.81 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -129.18 136.9 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -107.02 152.47 41.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.806 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.54 37.48 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -44.41 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.79 33.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -127.69 150.03 49.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 71' ' ' ILE . 60.1 t -136.73 118.61 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.87 166.69 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.5 113.36 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 85' ' ' ASN . 7.4 mt -110.08 156.53 20.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' MET . 55.3 m-85 -138.11 163.86 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 ttt -35.03 120.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.406 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . 117.25 -43.0 1.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.451 ' HB3' HD22 ' A' ' 81' ' ' LEU . 10.0 m120 -52.49 179.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.2 p -151.79 148.21 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 42.5 p90 -153.36 157.3 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.76 -111.88 1.07 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.7 pt -117.0 -175.76 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.481 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -105.02 157.96 33.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ASP . 19.4 p -105.01 137.95 41.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.515 HD21 ' CE3' ' A' ' 120' ' ' TRP . 92.7 mt -36.42 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.497 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 77.5 m-20 -40.86 147.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -110.18 142.71 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 1.4 mp0 -134.11 150.56 51.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 3.1 m-85 -117.72 147.31 43.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 tpt -71.19 140.73 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -121.66 21.15 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -158.47 -161.92 11.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.408 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 95.9 mt -130.67 130.7 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.7 t -104.91 142.02 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.408 HH21 ' CA ' ' A' ' 48' ' ' GLY . 8.2 mtp180 -153.47 132.87 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.0 HG23 HD11 ' A' ' 51' ' ' ILE . 28.8 p -64.61 151.45 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -100.01 -19.13 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.84 -178.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.1 163.73 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 63.77 47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.1 m -94.68 145.32 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 43' ' ' VAL . 77.4 mt-30 -112.34 140.3 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -147.97 153.34 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.5 p -123.52 144.53 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.672 ' HB2' HD12 ' A' ' 40' ' ' ILE . 80.5 m -122.84 136.44 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.687 HD13 HD22 ' A' ' 35' ' ' LEU . 50.6 mt -133.99 125.38 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.35 142.23 32.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 92' ' ' THR . 2.6 tp60 -52.73 -66.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -38.74 -58.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.531 ' HB3' HG21 ' A' ' 38' ' ' VAL . 67.2 m-20 -59.12 -38.67 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.4 t80 -63.7 -21.91 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.593 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 14.5 t90 -107.29 -0.24 22.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -97.58 -0.3 46.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 60.8 mt -116.96 -62.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.37 -39.09 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.593 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 11.3 m120 -72.82 175.55 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -109.28 40.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -63.3 135.23 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.15 -52.04 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -50.24 178.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.0 m -123.36 156.9 34.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.09 -85.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.22 50.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.325 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.3 m 56.03 32.33 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.8 p -54.13 131.05 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -72.9 -53.06 12.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -112.06 -52.46 2.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.94 131.45 7.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m -117.58 114.29 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -169.47 129.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.5 -160.97 34.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.64 -21.73 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -125.37 55.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 12.3 p-10 -65.88 -47.12 75.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 mt -63.54 -53.91 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.73 -60.03 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.97 -37.64 53.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.62 -45.93 77.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD11 ' CG ' ' A' ' 33' ' ' ARG . 84.5 mt -50.31 -53.32 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -38.76 -45.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.8 t80 -67.11 -44.91 78.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' PHE . 19.1 mmm -53.49 -14.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -86.21 -39.53 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.97 -7.27 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.85 HD22 ' HA2' ' A' ' 84' ' ' GLY . 30.3 mt -104.15 138.21 19.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.67 0.748 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.57 3.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.721 ' HD2' HD12 ' A' ' 21' ' ' LEU . 13.8 m-85 -95.53 -30.95 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.18 -39.29 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -38.43 -43.96 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.79 157.32 16.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 29' ' ' MET . 1.6 t -51.91 175.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' ' 29' ' ' MET . 2.3 ppp? -79.36 -16.81 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -68.47 -43.79 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 t -61.05 -23.0 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 29' ' ' MET . 86.3 mtt180 -69.15 -67.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.55 ' CG ' HD11 ' A' ' 15' ' ' LEU . 57.3 mtm180 -38.24 -53.85 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.64 -50.84 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.756 HD22 HD13 ' A' ' 114' ' ' ILE . 38.6 mt -56.84 -48.44 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 m -49.94 -21.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t -92.54 -25.5 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.754 HG22 ' HA ' ' A' ' 35' ' ' LEU . 10.2 m -109.42 8.57 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.504 ' HE2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -107.57 130.22 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.5 mp -88.72 137.75 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.33 122.22 33.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -143.29 155.79 44.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 109' ' ' CYS . 3.6 p -153.64 131.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 49' ' ' ALA . 94.9 t -91.52 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.79 -40.88 15.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -86.0 120.7 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 177.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.16 18.7 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -75.42 140.49 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.8 mp -78.56 124.72 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.885 HD11 HG23 ' A' ' 104' ' ' THR . 2.5 mm -93.56 -37.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD13 HD21 ' A' ' 58' ' ' LEU . 24.9 mt -151.55 152.66 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -113.64 159.79 19.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -72.03 125.22 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.82 29.12 12.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -110.35 119.51 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.02 94.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 88' ' ' GLY . 8.7 mt -65.5 126.87 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.74 8.12 4.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.548 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 4.9 m -140.9 124.73 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.3 t90 -76.1 127.71 33.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 60' ' ' SER . 16.0 m-85 -105.31 146.15 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 24' ' ' PHE . 70.4 t -138.01 126.62 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 85' ' ' ASN . 37.6 mt -67.94 111.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.487 HD11 ' HB ' ' A' ' 112' ' ' VAL . 76.5 mt -94.41 -30.68 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -163.08 140.04 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.9 -173.29 30.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.2 m -127.29 138.49 53.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -122.29 133.38 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -107.59 132.35 53.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 78' ' ' VAL . 31.3 mt -109.32 129.65 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -111.7 143.31 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -116.02 144.32 32.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.44 37.06 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -74.92 -47.92 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.18 33.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -131.77 157.24 44.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 71' ' ' ILE . 23.0 t -144.59 111.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.78 114.3 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 68' ' ' THR . 15.9 mt -108.04 153.97 22.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -130.04 165.99 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.0 ttt -38.65 120.56 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.85 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 117.91 -40.94 2.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.423 ' HB2' HD12 ' A' ' 64' ' ' ILE . 6.5 m120 -59.98 160.68 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.7 p -127.59 160.22 32.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -170.26 159.48 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.86 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 134.77 -81.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.553 HG23 ' HB3' ' A' ' 58' ' ' LEU . 5.1 pt -142.35 -178.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.1 p -101.12 152.58 37.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.78 3.38 2.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.496 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 12.3 p -99.16 137.58 37.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.524 HD21 ' CE3' ' A' ' 120' ' ' TRP . 39.9 mt -36.82 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.0 t70 -52.24 163.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 21.6 mttt -113.95 162.41 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.457 ' CD ' ' C ' ' A' ' 95' ' ' LYS . 3.6 mp0 -136.16 147.79 47.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -112.68 133.65 54.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.5 tpt -65.41 124.25 21.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.5 m80 -109.93 38.43 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 179.07 -161.46 27.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.7 mt -130.42 127.33 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.508 HG12 ' CG1' ' A' ' 51' ' ' ILE . 40.7 t -98.62 132.58 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -146.76 130.93 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.885 HG23 HD11 ' A' ' 51' ' ' ILE . 49.0 p -61.17 162.67 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -108.59 -28.15 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.45 178.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 176.01 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 60.21 26.8 16.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 43' ' ' VAL . 33.0 m -78.4 128.06 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' ' 111' ' ' PHE . 39.4 mt-30 -103.21 155.27 18.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 110' ' ' GLN . 74.4 m-85 -156.94 166.73 32.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.487 ' HB ' HD11 ' A' ' 65' ' ' LEU . 3.5 p -138.78 142.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.51 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.7 m -115.13 143.63 44.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.756 HD13 HD22 ' A' ' 35' ' ' LEU . 76.9 mt -143.76 124.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.17 142.74 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 92' ' ' THR . 26.3 tp60 -52.53 -59.74 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -51.12 -56.02 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -23.01 52.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.8 t80 -82.4 -28.77 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 25.5 t90 -100.39 1.11 41.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -97.1 -5.42 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 66.2 mt -112.32 -56.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.84 -32.85 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.461 ' OD1' ' CD1' ' A' ' 120' ' ' TRP . 9.7 m120 -87.92 -174.99 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -107.55 56.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.458 HG21 ' CZ3' ' A' ' 120' ' ' TRP . 78.0 t -86.34 126.62 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.83 106.2 3.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 129' ' ' SER . 20.7 ttpt -171.62 149.95 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 128' ' ' LYS . 75.4 m -96.84 112.07 23.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -109.49 -78.4 1.03 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.35 27.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 91.5 p -77.84 146.02 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 m -104.07 -39.78 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -116.85 152.73 33.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -90.92 161.03 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.3 -160.82 9.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -83.59 41.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -86.23 157.91 19.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.04 125.04 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -74.46 -43.93 53.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.7 76.88 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.56 -55.73 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -43.79 -50.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -45.79 -48.93 15.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.38 -46.46 88.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.8 -57.91 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.523 HD22 ' CE ' ' A' ' 29' ' ' MET . 95.8 mt -42.16 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -39.69 -28.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.747 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -89.4 -36.01 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' LEU . 16.7 mtp -62.11 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -43.54 -40.35 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.57 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 6.5 mm-40 -51.7 -46.45 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD22 ' HA2' ' A' ' 84' ' ' GLY . 14.7 mt -76.55 143.52 72.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.99 15.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.03 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.37 -41.56 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.7 -32.31 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -49.2 -42.78 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.509 ' HB3' HG11 ' A' ' 31' ' ' VAL . 3.4 mtt -81.85 160.52 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' MET . 15.2 t -88.08 160.55 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.603 ' HE3' ' HD2' ' A' ' 32' ' ' ARG . 5.8 tpt -34.36 -68.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' MET . 65.6 m -36.49 -68.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 122' ' ' ILE . 59.2 t -40.61 -56.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.603 ' HD2' ' HE3' ' A' ' 29' ' ' MET . 90.4 mtt180 -42.56 -52.54 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 ttt-85 -61.98 -57.97 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -40.1 -42.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD22 HD13 ' A' ' 114' ' ' ILE . 10.5 mt -64.5 -45.68 86.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.3 -27.19 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -68.72 -35.3 76.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.662 HG11 ' OD2' ' A' ' 118' ' ' ASP . 22.5 m -112.46 21.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE2' HD11 ' A' ' 114' ' ' ILE . 7.2 mtt -88.47 110.79 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -82.55 145.5 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -98.09 123.39 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -142.11 136.74 30.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.8 t -140.04 147.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG11 ' HB3' ' A' ' 49' ' ' ALA . 44.2 t -112.5 127.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -94.63 -42.29 8.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 42.8 mt-30 -83.85 108.77 17.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.84 178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.16 18.65 2.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -75.5 142.86 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.702 HD12 ' N ' ' A' ' 50' ' ' ILE . 2.3 mp -80.28 119.45 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 HG23 ' A' ' 104' ' ' THR . 4.8 mm -86.89 -38.51 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.443 HD13 HD21 ' A' ' 58' ' ' LEU . 28.2 mt -152.64 133.31 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -89.91 155.36 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 128.23 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 18.52 58.29 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -88.71 115.72 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.48 88.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 89' ' ' ILE . 19.1 mt -55.18 118.68 4.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.524 ' O ' HD13 ' A' ' 89' ' ' ILE . 10.2 t70 -118.83 -22.56 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.404 ' C ' HG12 ' A' ' 89' ' ' ILE . 15.8 m -116.74 148.56 41.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -90.06 133.22 34.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 54.4 m-85 -116.67 132.41 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.421 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 84.7 t -129.49 117.76 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.4 mt -54.0 104.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.748 HD11 ' HB ' ' A' ' 112' ' ' VAL . 68.8 mt -82.8 -35.38 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -164.22 141.43 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.47 -166.86 19.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.0 m -133.14 138.08 46.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.94 134.92 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -105.41 133.76 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.696 ' O ' HG13 ' A' ' 78' ' ' VAL . 84.2 mt -111.13 135.94 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -121.55 132.36 54.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -102.54 147.69 34.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.14 36.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -76.9 -45.36 28.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.27 32.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -129.51 145.35 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 71' ' ' ILE . 46.5 t -127.4 125.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.47 136.75 40.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.91 116.41 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -106.64 165.38 11.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -146.32 167.2 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.1 ttt -44.07 115.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.758 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 126.05 -32.78 3.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.45 174.8 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 p -146.61 139.6 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.49 148.95 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.57 -127.27 3.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 59' ' ' ASP . 11.2 pt -94.55 179.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 160.6 27.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.48 3.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.5 p -101.98 138.2 39.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.675 HD21 ' CE3' ' A' ' 120' ' ' TRP . 14.7 mt -42.92 -26.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 83.5 m-20 -51.34 157.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -101.84 173.8 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.514 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 2.1 mp0 -148.52 165.44 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -135.78 129.77 33.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.1 tpt -59.33 113.61 2.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.24 35.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.37 -174.93 43.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.0 mt -112.68 135.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 71' ' ' ILE . 24.1 t -108.18 137.08 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -147.35 131.06 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.021 HG23 HD11 ' A' ' 51' ' ' ILE . 66.0 p -60.46 163.2 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -111.2 -23.8 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.6 m -140.57 178.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -93.28 179.64 5.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.3 27.79 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 4.5 m -78.42 123.21 26.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -96.38 147.35 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.4 m-85 -150.71 139.7 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.748 ' HB ' HD11 ' A' ' 65' ' ' LEU . 12.4 p -108.53 145.22 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -123.32 145.5 48.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 35' ' ' LEU . 64.6 mt -146.85 121.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.62 147.92 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -60.21 -60.48 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 116' ' ' GLN . 11.4 mm-40 -35.66 -62.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.662 ' OD2' HG11 ' A' ' 38' ' ' VAL . 6.1 m-20 -57.2 -36.52 70.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 6.1 t80 -68.06 -12.19 60.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.675 ' CE3' HD21 ' A' ' 93' ' ' LEU . 44.4 t90 -117.22 0.52 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -107.54 -6.42 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.698 HG22 HG13 ' A' ' 31' ' ' VAL . 88.7 mt -106.79 -55.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.57 -51.41 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -60.01 -176.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -97.56 44.83 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 127' ' ' GLU . 16.4 t -105.53 140.44 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 128' ' ' LYS . 25.2 tt0 36.22 43.54 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 127' ' ' GLU . 0.0 OUTLIER -36.55 -33.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 127' ' ' GLU . 2.4 t -74.76 67.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.76 -158.04 20.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.96 3.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 47.5 t -67.91 96.03 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.7 p -76.13 145.58 39.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -100.19 106.42 18.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -110.8 91.98 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.14 159.6 11.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.428 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.63 167.52 22.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -158.13 155.0 28.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.03 108.52 0.22 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -47.02 -49.47 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -102.87 48.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -59.25 -30.64 68.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 31.6 mt -66.03 -65.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -42.6 -40.62 2.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.34 -36.24 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' LEU . 3.0 mt -72.04 -59.47 2.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 29' ' ' MET . 1.0 OUTLIER -34.11 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.78 -53.76 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.796 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -59.78 -41.0 90.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtp -58.84 -31.19 68.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -69.59 -17.95 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -80.86 -28.11 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 8.9 mt -90.62 141.87 27.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -37.39 9.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.16 72.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.415 ' CE2' HG11 ' A' ' 63' ' ' VAL . 21.6 m-85 -92.79 -15.47 26.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.15 -27.85 48.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.86 -47.81 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 171.59 9.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -86.69 -179.74 6.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.788 ' HG3' HD12 ' A' ' 15' ' ' LEU . 2.1 ttt -63.97 -48.17 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -42.37 -56.2 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 122' ' ' ILE . 30.8 t -57.3 -51.73 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.49 ' HA ' HD12 ' A' ' 35' ' ' LEU . 55.1 mtt180 -45.27 -63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HG3' HD11 ' A' ' 15' ' ' LEU . 38.2 mtt180 -48.52 -51.29 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.06 -49.11 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.674 HD22 HD13 ' A' ' 114' ' ' ILE . 28.6 mt -50.09 -48.22 53.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.31 -23.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 p -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.18 23.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.4 mtt -80.65 116.77 20.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 113' ' ' CYS . 4.4 mp -83.86 148.89 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -105.51 117.19 33.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -141.38 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 110' ' ' GLN . 84.9 t -144.73 142.69 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.41 126.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.31 -42.36 9.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -80.54 112.29 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 164.48 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.51 21.31 62.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.24 143.26 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.718 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -76.62 131.96 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.777 HD11 HG23 ' A' ' 104' ' ' THR . 3.4 mm -101.89 -36.78 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.6 mt -151.17 133.94 15.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -93.97 157.49 16.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.63 133.13 51.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.63 29.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -107.4 124.5 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -67.02 87.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.797 HD13 ' O ' ' A' ' 88' ' ' GLY . 4.9 mt -62.0 128.15 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -128.22 2.71 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -137.61 142.7 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -87.61 118.64 27.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.594 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 22.3 m-85 -99.17 132.93 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.469 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 79.8 t -129.76 120.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.55 111.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 65' ' ' LEU . 10.8 mt -89.23 -39.24 13.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -159.8 137.94 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.51 -170.46 20.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 81' ' ' LEU . 18.1 m -131.12 139.01 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 m -124.05 136.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -104.21 140.48 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 78' ' ' VAL . 26.8 mt -116.69 136.96 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 t -121.89 141.8 50.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -114.17 147.02 36.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.69 37.07 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.362 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -79.27 -40.52 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.08 35.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -132.73 147.58 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 71' ' ' ILE . 40.5 t -129.5 115.35 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.19 119.64 34.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -100.81 119.07 38.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 68' ' ' THR . 25.2 mt -105.28 166.17 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -142.75 168.58 19.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.0 ttt -44.45 117.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.38 -36.21 3.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.37 166.03 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 p -135.46 160.57 38.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -170.76 152.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.797 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 142.28 -102.35 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.483 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.603 HG22 ' HB2' ' A' ' 58' ' ' LEU . 18.0 pt -124.08 -174.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.17 160.98 24.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 111.134 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.415 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.84 3.1 3.01 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.4 p -100.14 150.43 22.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.788 HD21 ' CE3' ' A' ' 120' ' ' TRP . 76.1 mt -58.94 -12.4 4.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -65.84 141.22 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -90.38 163.98 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 1.3 pm0 -145.81 158.81 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -123.19 131.49 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.1 tpt -56.63 132.58 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -107.56 33.52 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.02 -171.55 44.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.6 mt -117.5 137.83 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.4 t -112.99 132.72 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -143.25 130.9 21.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.777 HG23 HD11 ' A' ' 51' ' ' ILE . 6.9 p -56.66 162.95 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -118.04 -9.81 10.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.428 HG23 ' SG ' ' A' ' 109' ' ' CYS . 33.6 m -149.57 173.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.35 163.25 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 64.38 43.29 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 77.7 m -91.95 123.21 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.442 ' HG2' HG22 ' A' ' 43' ' ' VAL . 59.5 mt-30 -95.15 138.72 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 71.5 m-85 -141.51 154.07 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.469 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 14.7 p -123.95 145.91 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 14.1 m -124.9 146.44 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.674 HD13 HD22 ' A' ' 35' ' ' LEU . 55.0 mt -144.82 120.35 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.88 140.18 15.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.537 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 4.3 pt20 -61.5 -38.28 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.475 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 1.4 mp0 -53.43 -52.27 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.78 -32.6 63.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.0 t80 -64.96 -10.33 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.788 ' CE3' HD21 ' A' ' 93' ' ' LEU . 20.4 t90 -114.48 -2.23 13.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.43 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 48.2 ttp85 -99.73 -19.67 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.653 HG22 HG22 ' A' ' 31' ' ' VAL . 63.7 mt -89.49 -64.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.3 -60.83 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -57.97 179.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -116.47 35.79 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.476 HG21 ' CH2' ' A' ' 120' ' ' TRP . 3.3 p -67.51 -18.89 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -160.93 163.17 32.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -132.76 40.45 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.0 m -94.15 -65.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 96.15 -169.48 26.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.9 Cg_endo -69.77 2.26 3.7 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 131' ' ' PRO . 72.0 p -35.54 124.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 m -97.7 120.36 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -119.54 87.21 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 53.48 42.46 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.6 146.65 18.87 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -123.48 153.6 40.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -103.39 171.22 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.43 152.67 5.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -107.19 -44.19 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -90.9 42.82 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -52.32 -50.01 63.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.16 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -44.38 -37.59 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD13 ' SG ' ' A' ' 36' ' ' CYS . 4.7 mt -64.06 -61.01 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -34.07 -59.34 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.68 -44.3 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.908 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.8 t80 -71.59 -41.48 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.408 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 12.9 mtp -62.16 -12.42 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -85.31 -38.7 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.69 -6.22 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.908 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 42.4 mt -105.69 135.16 19.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -41.72 4.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -30.78 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 16.5 m-85 -95.89 -49.52 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.48 -45.57 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.54 155.12 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 t -65.94 -179.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.456 ' HG3' HD12 ' A' ' 15' ' ' LEU . 3.4 ttt -61.36 -58.79 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' MET . 18.9 t -35.19 -68.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 93.5 t -37.05 -42.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 35' ' ' LEU . 50.8 mtt180 -64.5 -57.34 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -46.26 -44.67 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 10.5 mt-10 -62.98 -41.87 99.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.65 HD22 HD13 ' A' ' 114' ' ' ILE . 22.8 mt -60.26 -51.94 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.59 ' SG ' HD13 ' A' ' 14' ' ' LEU . 2.0 t -45.0 -22.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.9 t -70.74 -39.55 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' CB ' ' A' ' 118' ' ' ASP . 16.9 m -117.1 22.22 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.963 ' SD ' HD11 ' A' ' 114' ' ' ILE . 4.4 mmm -85.13 107.76 17.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.813 ' O ' HG23 ' A' ' 112' ' ' VAL . 27.9 mt -83.59 146.38 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HZ ' HD21 ' A' ' 14' ' ' LEU . 12.6 m-85 -103.92 132.85 49.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -154.08 139.41 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 109' ' ' CYS . 3.0 p -143.1 127.77 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.584 HG11 ' HB3' ' A' ' 49' ' ' ALA . 80.7 t -88.14 125.65 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.95 -43.35 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -86.23 120.01 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 176.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.93 19.46 10.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.584 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -79.41 140.52 37.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.744 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.5 mp -78.53 118.23 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.945 HD11 HG23 ' A' ' 104' ' ' THR . 6.4 mm -82.12 -41.67 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.771 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 13.4 mt -149.6 142.95 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -102.19 143.36 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -62.2 140.34 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 29.1 39.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -117.6 120.63 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -55.49 91.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 88' ' ' GLY . 10.4 mt -61.77 110.49 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -117.65 26.52 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 3.6 m -162.64 125.47 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.589 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 19.2 t90 -79.57 131.81 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.771 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 10.8 m-85 -106.91 153.34 22.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.589 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 97.7 t -144.42 127.04 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 85' ' ' ASN . 38.9 mt -61.72 117.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -96.19 -36.55 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -163.04 132.93 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.93 -170.69 20.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.6 m -125.91 140.25 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.23 134.86 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -106.8 129.43 54.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.56 ' O ' HG13 ' A' ' 78' ' ' VAL . 74.8 mt -106.39 137.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 m -120.24 130.85 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -106.54 146.22 32.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.33 35.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -75.87 -40.55 54.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.95 30.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -123.61 149.79 44.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 71' ' ' ILE . 59.8 t -136.79 109.04 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -89.12 133.37 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.96 108.42 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' CB ' HD11 ' A' ' 64' ' ' ILE . 16.3 mt -99.67 154.31 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.66 172.19 12.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -44.66 118.38 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.45 -33.14 5.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.559 ' HB2' HD12 ' A' ' 64' ' ' ILE . 10.0 m120 -62.82 178.33 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 p -144.94 156.09 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -168.9 147.87 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.552 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 146.24 -79.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -153.39 167.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 160.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.4 p -89.79 150.7 22.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.587 HD21 ' CE3' ' A' ' 120' ' ' TRP . 11.2 mt -66.81 -20.55 65.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.22 130.65 42.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 152.89 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -143.09 138.2 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -108.03 137.16 46.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -60.02 105.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -85.58 33.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.49 47.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.5 mt -120.24 130.98 73.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.36 140.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -152.05 131.06 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.945 HG23 HD11 ' A' ' 51' ' ' ILE . 18.5 p -59.83 163.19 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -111.31 -22.89 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.8 m -138.85 -178.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -96.51 170.24 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 61.93 28.47 17.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 6.3 m -79.64 129.73 34.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 111' ' ' PHE . 40.2 mt-30 -102.65 155.27 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.5 m-85 -157.24 169.47 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 40' ' ' ILE . 8.0 p -138.52 146.84 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.2 m -118.96 145.24 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.963 HD11 ' SD ' ' A' ' 39' ' ' MET . 55.5 mt -144.86 120.5 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' A' ' 118' ' ' ASP . . . -49.69 147.94 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -66.33 -49.0 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -51.28 -40.93 60.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.484 ' CB ' HG21 ' A' ' 38' ' ' VAL . 10.4 m-20 -76.3 -31.8 58.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 9.1 t80 -68.59 -9.43 49.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.956 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.587 ' CE3' HD21 ' A' ' 93' ' ' LEU . 18.7 t90 -120.26 0.56 10.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.705 ' HA ' HG21 ' A' ' 126' ' ' VAL . 5.9 ptm180 -98.57 -24.52 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 34' ' ' GLU . 60.5 mt -89.2 -62.06 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 124' ' ' ASN . 4.4 mp -54.58 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.4 ' O ' ' O ' ' A' ' 123' ' ' LEU . 12.8 m120 -49.31 179.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -97.32 44.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.705 HG21 ' HA ' ' A' ' 121' ' ' ARG . 60.1 t -69.52 136.35 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -123.91 -28.28 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -57.96 -11.81 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -164.77 150.75 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.512 ' N ' HH21 ' A' ' 121' ' ' ARG . . . 141.84 167.1 11.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.6 Cg_endo -69.75 -29.99 23.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 131' ' ' PRO . 52.8 p -36.51 104.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.6 m -125.64 93.43 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 m -120.19 128.1 53.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -94.32 -50.63 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.86 93.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -51.4 131.7 28.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -101.02 158.12 16.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.22 149.51 21.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -68.76 -43.82 74.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.26 80.64 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -78.52 -53.51 7.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' GLU . 7.3 mt -56.13 -59.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . 5.3 mm-40 -36.77 -52.86 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.02 -45.52 93.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -55.03 -50.45 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 11' ' ' ILE . 1.6 mm? -49.39 -68.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.16 -36.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.801 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -66.55 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 2.1 mtt -46.13 -40.22 10.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' NH1' ' A' ' 32' ' ' ARG . 4.6 m80 -51.67 -34.64 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.75 -42.91 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.801 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -85.65 136.26 37.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -34.79 13.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' SD ' ' A' ' 27' ' ' MET . . . -55.3 -39.39 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 21.2 m-85 -85.77 -49.75 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.15 -39.74 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -47.04 -50.13 20.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -72.2 165.17 24.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.508 HG23 HG23 ' A' ' 31' ' ' VAL . 1.3 t -89.47 158.63 17.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 tpt -38.67 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 m -38.14 -66.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG23 HG23 ' A' ' 28' ' ' THR . 79.1 t -39.59 -59.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 19' ' ' HIS . 48.9 mtt180 -40.07 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ARG . 14.8 ttt180 -34.47 -55.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' HG21 ' A' ' 122' ' ' ILE . 5.6 mm-40 -54.37 -42.41 70.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.741 ' HA ' HG22 ' A' ' 38' ' ' VAL . 44.8 mt -62.78 -45.84 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.475 ' SG ' HD12 ' A' ' 14' ' ' LEU . 72.1 m -54.56 -18.17 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -97.73 -20.63 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.806 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.741 HG22 ' HA ' ' A' ' 35' ' ' LEU . 3.3 m -112.8 14.52 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.452 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 5.9 ptp -111.26 146.68 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 112' ' ' VAL . 48.4 mt -95.82 154.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 40' ' ' ILE . 47.0 m-85 -115.96 114.25 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -139.85 153.14 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.45 121.21 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.34 126.89 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -88.91 -41.34 12.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -86.44 119.6 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.72 178.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.38 9.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.36 141.22 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.732 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -78.21 118.63 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.936 HD11 HG23 ' A' ' 104' ' ' THR . 2.6 mm -87.74 -42.77 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.29 146.88 30.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -108.38 152.69 24.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -66.88 134.76 52.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.03 30.77 24.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.26 126.61 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 8.9 tt0 -66.87 86.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 88' ' ' GLY . 6.7 mt -54.79 124.12 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -129.74 -3.14 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.3 m -134.18 126.77 30.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.432 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 29.4 t90 -75.72 124.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.0 m-85 -101.59 151.6 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.432 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 61.5 t -139.95 153.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HG12 ' A' ' 63' ' ' VAL . 32.6 mt -97.44 98.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.35 -36.25 34.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.15 141.48 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.23 177.0 39.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.808 HG23 ' O ' ' A' ' 81' ' ' LEU . 65.5 m -120.55 135.09 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.135 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 m -116.55 142.23 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -114.42 140.44 48.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.526 ' O ' HG13 ' A' ' 78' ' ' VAL . 62.2 mt -114.26 142.61 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -127.24 130.34 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -102.76 149.49 36.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.29 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.2 -46.53 17.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -126.5 145.84 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 71' ' ' ILE . 57.6 t -134.91 103.92 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.96 172.93 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.95 109.74 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 68' ' ' THR . 29.6 mt -107.22 153.95 21.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -133.05 162.47 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.405 ' HA ' HG22 ' A' ' 64' ' ' ILE . 8.4 ttt -38.33 115.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.75 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 125.6 -39.31 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.44 175.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -148.43 149.36 31.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -149.41 164.95 33.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.68 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 129.87 -100.5 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 58' ' ' LEU . 18.9 pt -127.81 -176.79 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.22 160.41 26.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.551 0.691 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.76 -0.36 6.8 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 34.0 p -97.97 131.43 44.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' THR . 58.5 mt -34.43 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.1 m-20 -42.22 139.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -93.8 176.29 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HG2' HG22 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -166.34 160.98 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.2 m-85 -127.41 146.82 50.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 tpt -66.01 136.77 56.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.47 29.46 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.22 -160.06 22.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.9 mt -130.34 127.36 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.3 t -98.65 144.34 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -156.5 131.41 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.936 HG23 HD11 ' A' ' 51' ' ' ILE . 64.2 p -64.01 151.22 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -98.01 -28.83 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.09 173.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -91.0 174.18 7.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.31 34.53 20.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 5.9 m -82.16 131.95 35.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -107.63 140.19 41.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 77.2 m-85 -143.15 174.54 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 40' ' ' ILE . 3.4 p -146.47 142.68 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 10.0 m -116.31 131.61 56.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.567 HD13 HD22 ' A' ' 35' ' ' LEU . 95.0 mt -130.21 122.71 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.44 137.04 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -51.83 -58.65 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -40.31 -54.5 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.24 -30.98 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.485 ' O ' HD13 ' A' ' 123' ' ' LEU . 10.9 t80 -69.69 -21.22 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.632 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 42.3 t90 -109.89 1.86 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -99.77 -13.29 19.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 31' ' ' VAL . 53.1 mt -103.35 -50.55 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 119' ' ' TYR . 5.1 mp -66.47 -33.4 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.632 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.4 m120 -83.98 -174.96 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -110.76 54.22 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.471 HG12 ' HG2' ' A' ' 128' ' ' LYS . 74.0 t -88.53 139.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -96.98 88.0 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.471 ' HG2' HG12 ' A' ' 126' ' ' VAL . 52.8 mmtt -146.47 166.65 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.0 t -60.62 137.82 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.73 -158.31 5.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -6.35 18.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.325 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.1 t -72.22 133.66 45.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -84.0 115.71 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.3 p -117.85 109.39 16.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -132.94 117.94 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.83 126.2 6.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -48.73 120.41 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -120.28 96.3 5.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.09 107.09 1.79 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -55.06 -31.75 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.67 28.32 8.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 14' ' ' LEU . 20.4 t70 -50.99 -31.3 17.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.1 mt -79.59 -57.23 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.36 -45.42 8.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.7 -45.04 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD13 ' SG ' ' A' ' 36' ' ' CYS . 3.1 mt -63.13 -59.75 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . 70.3 mt -35.23 -48.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.23 -49.09 79.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.824 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.8 t80 -61.18 -56.1 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 10.6 mtp -44.75 -42.91 8.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -53.17 -37.73 62.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -66.39 -41.73 88.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.824 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 7.2 mt -68.48 141.3 93.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -40.36 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.4 -42.17 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 35.0 m-85 -86.16 -17.95 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.37 90.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -53.61 -21.76 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.421 ' SD ' HG11 ' A' ' 31' ' ' VAL . 15.5 mtt -100.43 168.09 9.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -98.62 -178.16 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' ARG . 33.2 tpp -59.08 -66.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 29' ' ' MET . 58.4 m -35.28 -44.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 48.2 t -61.6 -45.59 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' MET . 96.9 mtt180 -56.14 -69.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -42.27 -46.56 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -58.31 -49.62 76.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 114' ' ' ILE . 19.2 mt -55.99 -48.2 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.561 ' SG ' HD13 ' A' ' 14' ' ' LEU . 16.6 t -55.18 -15.43 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -93.37 -20.28 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 35' ' ' LEU . 3.7 m -121.06 21.54 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.664 ' SD ' HG21 ' A' ' 112' ' ' VAL . 2.9 ptp -115.02 141.02 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.68 HD13 ' HB3' ' A' ' 113' ' ' CYS . 4.3 mp -90.79 159.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.519 ' N ' HG22 ' A' ' 40' ' ' ILE . 27.3 m-85 -113.56 109.57 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -135.59 148.99 49.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 109' ' ' CYS . 7.1 p -151.6 124.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG11 ' HB3' ' A' ' 49' ' ' ALA . 60.5 t -81.13 132.17 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -97.13 -35.99 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -97.1 110.09 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.24 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.91 17.74 30.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.52 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -80.9 136.85 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.716 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.2 mp -79.2 110.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.04 HD11 HG23 ' A' ' 104' ' ' THR . 7.1 mm -73.59 -42.53 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -142.12 179.35 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.79 134.34 38.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 1.2 t70 -60.16 134.42 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.81 39.61 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' OE1' ' A' ' 56' ' ' GLN . 0.9 OUTLIER -128.12 143.83 51.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.309 . . . . 0.0 110.932 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.95 99.77 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 88' ' ' GLY . 8.5 mt -64.05 119.25 9.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.15 25.95 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -166.8 135.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.525 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 27.6 t90 -88.16 121.19 30.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.95 151.25 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.434 ' HB ' HG12 ' A' ' 112' ' ' VAL . 61.4 t -138.4 147.72 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mt -87.31 102.41 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.92 -35.74 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -163.52 135.56 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.12 -168.55 14.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 81' ' ' LEU . 52.2 m -133.23 132.98 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 111.139 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.0 132.6 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -104.48 129.88 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -109.72 136.25 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.5 t -118.25 142.81 47.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -110.87 147.15 35.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.29 37.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 -45.56 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.9 36.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -132.49 150.03 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.66 113.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -87.67 144.89 26.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.71 107.39 11.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 68' ' ' THR . 48.3 mt -100.78 149.89 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -124.67 169.38 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.8 ttt -45.15 115.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.472 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 126.66 -33.44 3.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' HB3' HD22 ' A' ' 81' ' ' LEU . 20.4 m120 -71.48 159.74 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 p -131.47 153.36 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -156.27 156.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.947 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 139.06 -85.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 116' ' ' GLN . 7.7 pt -143.02 -176.15 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.08 160.55 26.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.73 0.89 4.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.9 p -97.38 130.88 44.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.731 HD21 ' CE3' ' A' ' 120' ' ' TRP . 77.1 mt -38.18 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.991 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.1 m-20 -48.95 149.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 173.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -159.52 153.17 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.32 133.82 55.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 tpt -53.02 147.36 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -126.18 43.39 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 159.1 173.96 28.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.1 mt -103.99 125.47 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 t -96.12 133.87 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -145.88 130.85 18.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.04 HG23 HD11 ' A' ' 51' ' ' ILE . 57.6 p -59.31 161.41 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -108.49 -32.15 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.74 171.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.88 172.9 11.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.4 t0 59.74 44.0 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.554 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.6 m -93.8 123.2 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.86 149.06 22.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 84.6 m-85 -151.51 167.98 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.664 HG21 ' SD ' ' A' ' 39' ' ' MET . 12.3 p -138.32 142.67 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.68 ' HB3' HD13 ' A' ' 40' ' ' ILE . 1.7 t -110.49 139.92 45.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.668 HD13 HD22 ' A' ' 35' ' ' LEU . 62.4 mt -146.4 120.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 142.77 55.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.688 ' HB3' HD13 ' A' ' 89' ' ' ILE . 6.0 pt20 -61.87 -40.58 95.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.475 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 12.8 mm-40 -51.81 -50.11 61.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.43 -28.93 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.525 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 4.4 t80 -66.24 -13.09 59.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.731 ' CE3' HD21 ' A' ' 93' ' ' LEU . 59.3 t90 -113.02 4.45 16.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.585 ' HD2' HG13 ' A' ' 126' ' ' VAL . 1.9 tpt180 -104.95 -24.02 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 85.5 mt -92.42 -62.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -54.98 -57.28 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -58.86 -177.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -114.43 33.42 5.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.585 HG13 ' HD2' ' A' ' 121' ' ' ARG . 7.4 p -74.99 -13.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -109.91 179.83 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -119.0 -45.77 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 72.0 p -131.11 44.07 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 67.09 -159.11 50.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.45 5.69 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.709 2.273 . . . . 0.0 112.29 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 80.8 p -82.56 176.24 9.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.9 p -49.28 141.87 8.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -127.35 132.7 50.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -128.96 90.65 3.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.07 154.43 25.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 6' ' ' SER . 57.8 m -52.86 -48.52 67.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' SER . 97.7 p 37.2 45.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.38 110.56 2.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.13 -34.49 77.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -103.92 39.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.564 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.9 p-10 -65.27 -30.56 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mt -67.82 -59.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.22 -54.73 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' CD ' ' HA ' ' A' ' 10' ' ' ASP . 5.6 pt20 -57.97 -49.32 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.688 HD13 ' SG ' ' A' ' 36' ' ' CYS . 3.8 mt -52.59 -57.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 32' ' ' ARG . 30.6 mt -48.58 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 13' ' ' GLN . 7.9 pt-20 -40.52 -34.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.679 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.7 t80 -73.84 -48.25 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mtp -50.87 -31.88 18.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -64.84 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.679 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 22.7 mt -75.27 142.23 74.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.54 3.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.8 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HD2' HD12 ' A' ' 21' ' ' LEU . 7.8 m-85 -86.73 -40.54 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.99 -33.09 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -46.13 -46.58 17.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.41 161.27 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 30' ' ' SER . 11.9 t -86.32 173.46 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 ttt -50.9 -46.41 60.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.443 ' HB2' HG23 ' A' ' 28' ' ' THR . 3.9 m -41.57 -66.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -48.97 -48.72 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.778 ' HA ' HD12 ' A' ' 35' ' ' LEU . 58.3 mtt180 -49.29 -69.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -38.38 -52.52 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.64 -41.21 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 32' ' ' ARG . 13.0 mt -64.17 -52.49 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.688 ' SG ' HD13 ' A' ' 14' ' ' LEU . 1.8 t -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t -68.22 -36.78 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.571 HG21 ' HB3' ' A' ' 118' ' ' ASP . 31.9 m -115.21 22.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.937 ' SD ' HD11 ' A' ' 114' ' ' ILE . 2.6 mmm -88.96 115.68 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.63 148.62 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.79 133.14 46.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -150.86 129.14 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.9 t -137.33 127.34 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.616 HG11 ' HB3' ' A' ' 49' ' ' ALA . 58.8 t -94.63 122.84 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -89.61 -39.63 13.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.0 118.9 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 176.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.98 23.88 12.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -81.18 140.3 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -80.19 121.82 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.935 HD11 HG23 ' A' ' 104' ' ' THR . 2.5 mm -85.37 -40.22 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 62' ' ' TYR . 27.1 mt -148.79 171.21 16.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.3 146.94 51.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.83 126.61 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.29 29.44 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -118.95 118.38 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.59 96.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 6.8 mt -64.56 118.97 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' OD1' ' C ' ' A' ' 59' ' ' ASP . 35.9 p30 -128.39 27.61 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -160.49 141.41 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 20.9 t90 -92.17 123.04 35.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.7 m-85 -105.99 117.36 33.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' HB ' HG12 ' A' ' 112' ' ' VAL . 95.0 t -113.99 123.04 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 83' ' ' MET . 37.1 mt -60.39 112.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD11 ' HB ' ' A' ' 112' ' ' VAL . 21.8 mt -94.24 -36.04 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -159.89 149.83 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.39 -163.9 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 81' ' ' LEU . 88.1 m -134.98 137.55 43.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -120.89 130.02 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.61 126.55 52.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.546 ' O ' HG13 ' A' ' 78' ' ' VAL . 46.3 mt -104.01 144.46 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 m -131.38 117.08 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -89.03 151.04 46.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.226 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.77 -43.28 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.76 31.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -123.73 152.7 41.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 71' ' ' ILE . 37.4 t -136.86 108.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -87.67 135.46 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -112.18 107.11 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 68' ' ' THR . 21.2 mt -104.1 152.13 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.82 172.82 11.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.434 ' HA ' HG22 ' A' ' 64' ' ' ILE . 16.5 ttt -44.78 118.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.471 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 121.64 -43.16 1.54 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.92 165.95 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 p -134.23 157.35 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 62' ' ' TYR . 27.3 p90 -166.21 147.32 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.36 -100.23 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 6.8 pt -130.62 171.04 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.442 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -102.3 162.01 21.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.6 0.714 . . . . 0.0 111.104 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 4.27 2.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -98.29 129.1 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.468 HD21 ' CE3' ' A' ' 120' ' ' TRP . 74.6 mt -42.98 -29.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -39.46 130.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -73.68 146.17 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.442 ' NE2' ' OG1' ' A' ' 90' ' ' THR . 17.2 mt-30 -141.72 130.88 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.01 133.16 52.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.459 ' SD ' HD21 ' A' ' 58' ' ' LEU . 11.9 tpt -56.04 143.14 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -124.59 40.49 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.15 179.36 45.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.31 120.95 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 t -92.86 142.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -151.38 130.88 12.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.935 HG23 HD11 ' A' ' 51' ' ' ILE . 55.5 p -60.15 167.73 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -114.71 -27.47 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 m -134.89 -177.25 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.85 170.06 9.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 56.18 48.63 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 44.7 m -95.02 134.53 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -101.22 145.92 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 76.4 m-85 -153.98 139.7 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.635 HG21 ' SD ' ' A' ' 39' ' ' MET . 4.4 p -108.0 151.09 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 m -127.8 146.84 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.937 HD11 ' SD ' ' A' ' 39' ' ' MET . 65.9 mt -146.93 118.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.13 139.1 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -49.46 -56.46 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -43.18 -66.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.571 ' HB3' HG21 ' A' ' 38' ' ' VAL . 13.4 m-20 -51.04 -44.57 61.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.613 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.4 t80 -53.88 -35.13 61.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.534 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 57.0 t90 -95.67 2.59 54.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 42.5 ttm-85 -99.28 -18.28 17.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 35' ' ' LEU . 53.2 mt -99.04 -70.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -45.85 -40.37 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.453 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 10.3 m120 -76.42 -175.12 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -114.35 66.18 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 126' ' ' VAL . 7.7 p -123.24 73.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -64.88 94.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -169.31 112.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.4 m 67.18 52.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.29 -157.4 26.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.76 3.22 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.273 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.7 t -101.11 142.13 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.1 p -116.61 133.92 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.9 p -171.27 145.81 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -81.75 164.35 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.01 -163.49 33.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -61.2 135.79 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 m -111.67 169.44 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.62 161.18 52.76 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.27 -53.94 6.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -118.63 70.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 13' ' ' GLN . 7.7 t70 -51.84 -64.85 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.0 mm -40.0 -45.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ASP . 40.7 mt-30 -70.87 -34.33 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.793 HD13 ' SG ' ' A' ' 36' ' ' CYS . 7.7 mt -72.95 -60.5 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -42.4 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 13.6 pt-20 -42.51 -39.99 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.696 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -71.08 -39.09 72.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.9 mtp -65.2 -14.55 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH12 ' A' ' 32' ' ' ARG . 8.4 t-80 -80.35 -15.62 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -94.2 -13.62 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.696 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 43.9 mt -102.99 140.26 20.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.72 -35.79 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -93.32 -35.31 13.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.01 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.9 m-80 -70.46 -7.58 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.78 152.51 50.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -54.51 161.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.86 -44.81 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 t -51.91 -23.48 4.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 t -87.25 -25.82 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.514 HH12 ' CD2' ' A' ' 19' ' ' HIS . 96.9 mtt180 -68.16 -54.08 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.05 -45.58 75.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.56 -38.96 70.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 HD13 ' A' ' 114' ' ' ILE . 23.1 mt -63.84 -45.05 91.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.793 ' SG ' HD13 ' A' ' 14' ' ' LEU . 49.0 t -52.25 -23.8 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -74.66 -35.18 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.32 21.48 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.437 ' SD ' HG21 ' A' ' 112' ' ' VAL . 4.6 mtt -84.57 140.12 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 112' ' ' VAL . 3.8 mm -102.34 157.79 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 40' ' ' ILE . 39.4 m-85 -113.3 114.36 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -141.46 142.4 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.25 125.47 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 49' ' ' ALA . 92.3 t -90.31 123.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -91.38 -43.44 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 79.0 mt-30 -81.9 103.54 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.55 171.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.12 33.14 37.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -90.11 146.48 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.696 HD12 ' N ' ' A' ' 50' ' ' ILE . 2.7 mp -80.57 123.47 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.888 HD11 HG23 ' A' ' 104' ' ' THR . 3.2 mm -92.5 -35.7 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 58' ' ' LEU . 28.5 mt -154.72 127.06 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -87.0 152.0 22.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.51 109.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.86 24.03 8.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -97.86 109.68 22.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -45.81 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.937 HD13 ' O ' ' A' ' 88' ' ' GLY . 13.5 mt -66.99 114.31 5.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -125.26 33.89 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.7 p -169.36 133.54 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.439 ' CZ2' ' HB2' ' A' ' 86' ' ' SER . 15.2 t90 -82.51 121.92 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 m-85 -104.03 137.7 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.1 t -134.37 117.2 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.7 mt -53.65 115.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.58 -43.29 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -155.76 121.34 4.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.79 -168.75 13.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 81' ' ' LEU . 98.9 m -132.21 135.37 46.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.0 m -117.29 133.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -104.76 132.36 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 78' ' ' VAL . 46.3 mt -110.05 131.41 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -118.85 127.54 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -98.69 148.77 35.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.49 37.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -76.23 -43.89 40.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.29 33.12 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.93 156.18 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 71' ' ' ILE . 25.9 t -137.89 118.33 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.96 121.47 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.81 118.65 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.911 HD22 ' CG ' ' A' ' 85' ' ' ASN . 48.9 mt -110.56 163.85 13.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 83' ' ' MET . 25.7 m-85 -144.73 158.95 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 82' ' ' PHE . 9.9 ttt -34.52 110.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 133.53 -25.48 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.911 ' CG ' HD22 ' A' ' 81' ' ' LEU . 3.6 t-20 -75.79 171.73 13.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.439 ' HB2' ' CZ2' ' A' ' 61' ' ' TRP . 58.7 p -141.0 129.62 22.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 8.3 p90 -144.16 154.01 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.937 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 139.28 -83.8 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 116' ' ' GLN . 10.1 pt -142.98 175.58 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.479 ' H ' ' NE2' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -101.32 160.53 26.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.522 0.677 . . . . 0.0 111.183 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.8 Cg_endo -69.79 0.92 4.97 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' ASP . 58.4 p -92.79 134.54 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 19.8 mt -42.28 -24.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 92' ' ' THR . 3.7 t70 -58.76 155.88 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -100.63 165.72 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.479 ' NE2' ' H ' ' A' ' 90' ' ' THR . 3.7 mp0 -147.67 147.9 30.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.49 149.01 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -64.94 112.41 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -83.7 37.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' N ' ' SD ' ' A' ' 98' ' ' MET . . . 163.67 -161.9 34.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.27 123.52 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.8 t -98.66 140.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -148.33 131.13 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.888 HG23 HD11 ' A' ' 51' ' ' ILE . 14.6 p -61.25 154.61 23.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.406 ' HB3' ' NZ ' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -103.5 -22.2 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.48 173.19 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.4 175.8 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.18 40.88 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.12 129.7 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -95.84 135.24 37.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.31 142.53 37.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.4 p -116.49 143.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.406 ' C ' HG13 ' A' ' 114' ' ' ILE . 56.8 m -120.49 149.37 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.574 HD13 HD22 ' A' ' 35' ' ' LEU . 52.1 mt -144.82 119.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.15 147.89 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.43 ' HB2' ' CD1' ' A' ' 89' ' ' ILE . 1.7 tt0 -65.03 -58.82 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -40.03 -49.51 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.41 -38.6 77.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.527 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.8 t80 -62.28 -23.71 66.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.556 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 53.0 t90 -101.0 4.65 42.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.434 ' HB2' ' NH1' ' A' ' 121' ' ' ARG . 14.5 ttm105 -102.98 -27.34 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 52.7 mt -87.29 -72.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.05 -54.79 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.442 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 10.0 m120 -55.31 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -93.15 49.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.25 70.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -89.58 -28.99 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -33.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.3 t -86.47 -70.69 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 60.07 128.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.94 4.33 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.359 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.2 t -144.35 114.6 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.8 m -119.8 110.79 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -72.43 125.42 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -98.87 150.36 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.97 89.37 1.0 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -113.06 128.25 56.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -100.9 146.12 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.39 161.18 11.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -104.59 -47.56 4.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -123.46 71.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.13 -59.53 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LEU . 33.9 mt -42.28 -51.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -46.09 -42.08 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.98 -26.57 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 34.0 tp -78.46 -47.3 17.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' CE ' ' A' ' 29' ' ' MET . 36.3 mt -49.49 -53.58 22.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -44.27 -48.86 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.76 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 1.9 t80 -60.41 -58.61 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.568 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.5 mtp -42.23 -47.31 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CD2' HH12 ' A' ' 32' ' ' ARG . 2.3 t-80 -45.85 -42.22 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -58.02 -44.15 87.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 11.8 mt -69.73 139.21 88.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.61 0.719 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.9 9.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.34 79.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 20.8 m-85 -88.76 -39.81 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.79 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -42.8 -45.27 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.521 ' SD ' HD11 ' A' ' 35' ' ' LEU . 7.3 mtt -76.06 161.36 28.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.423 HG22 HG23 ' A' ' 31' ' ' VAL . 15.4 t -85.27 160.65 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.498 ' CE ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.66 -53.54 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' VAL . 28.3 m -47.57 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG13 HG22 ' A' ' 122' ' ' ILE . 80.6 t -36.26 -54.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.512 HH12 ' CD2' ' A' ' 19' ' ' HIS . 93.4 mtt180 -45.47 -49.52 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -61.81 -54.04 47.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -51.6 -36.45 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.521 HD11 ' SD ' ' A' ' 27' ' ' MET . 23.2 mt -62.34 -49.33 76.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 49.4 t -59.78 -12.11 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -97.7 -10.08 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG21 ' HB3' ' A' ' 118' ' ' ASP . 23.0 m -132.54 21.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.779 ' SD ' HG21 ' A' ' 112' ' ' VAL . 3.4 ptp -114.31 156.47 24.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.905 HD12 ' HB3' ' A' ' 113' ' ' CYS . 34.6 mt -106.03 145.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -102.18 103.67 14.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -127.99 156.67 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 109' ' ' CYS . 2.1 p -152.8 123.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -78.38 131.59 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -95.8 -38.71 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -92.43 111.31 22.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.45 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 43.34 35.97 2.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.05 138.63 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.728 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.4 mp -74.55 110.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 104' ' ' THR . 6.7 mm -76.81 -42.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -143.99 155.89 44.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -111.51 150.56 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.03 138.78 57.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.08 40.07 62.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -117.87 113.76 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -50.29 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.38 127.94 34.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.457 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -125.49 -28.81 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 m -104.4 153.58 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.618 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 21.6 t90 -97.38 145.29 26.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 27.4 m-85 -128.43 128.55 44.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.526 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 97.2 t -122.9 134.51 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mt -72.43 104.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' A' ' 112' ' ' VAL . 75.6 mt -83.71 -41.87 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -156.02 138.89 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.68 -177.32 26.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.855 HG22 ' HG3' ' A' ' 105' ' ' LYS . 92.6 m -121.63 138.46 54.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.136 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.0 m -122.81 135.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -111.67 141.5 45.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 102' ' ' VAL . 65.4 mt -114.72 135.58 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t -118.56 131.6 56.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -101.68 148.09 34.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -16.28 37.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -75.48 -45.84 36.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.7 33.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -128.34 163.04 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -147.88 119.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -92.0 168.6 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.23 107.21 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 68' ' ' THR . 10.0 mt -100.19 155.87 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -127.56 177.51 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ttt -53.54 118.04 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.22 -31.52 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.85 170.34 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.9 p -142.12 142.48 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.9 p90 -145.25 147.76 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.68 -106.66 0.49 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 59' ' ' ASP . 6.0 pt -121.62 159.77 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.89 158.86 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.504 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.4 Cg_endo -69.75 2.74 3.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.406 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' LEU . 71.8 p -99.15 131.12 45.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 120' ' ' TRP . 17.1 mt -34.93 -36.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' THR . 34.6 m-20 -44.1 141.07 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.529 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 7.3 mptt -78.64 169.18 18.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.529 ' NE2' ' O ' ' A' ' 95' ' ' LYS . 14.7 mp0 -145.7 132.39 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -110.71 139.98 45.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.0 tpt -77.38 142.42 39.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -123.17 31.75 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.86 -169.05 37.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.9 128.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 71' ' ' ILE . 42.8 t -99.18 139.25 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.405 HH21 ' CA ' ' A' ' 48' ' ' GLY . 8.6 mtp180 -145.87 134.25 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.0 HG23 HD11 ' A' ' 51' ' ' ILE . 15.2 p -59.04 165.22 2.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.855 ' HG3' HG22 ' A' ' 68' ' ' THR . 3.6 mmpt? -108.34 -27.34 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.19 -178.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -94.38 162.66 13.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.22 46.66 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.408 ' O ' HG23 ' A' ' 43' ' ' VAL . 34.5 m -94.02 128.58 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -97.84 143.83 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -146.4 172.3 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.779 HG21 ' SD ' ' A' ' 39' ' ' MET . 8.1 p -141.87 140.46 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.905 ' HB3' HD12 ' A' ' 40' ' ' ILE . 1.8 t -115.15 130.74 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.484 HD13 HD22 ' A' ' 35' ' ' LEU . 32.1 mt -133.61 127.61 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.71 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 119' ' ' TYR . 35.0 tt0 -60.97 -63.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.2 mp0 -37.53 -55.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HB3' HG21 ' A' ' 38' ' ' VAL . 15.7 m-20 -61.81 -35.52 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.618 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.6 t80 -65.29 -36.95 85.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.568 ' CE3' HD21 ' A' ' 93' ' ' LEU . 45.0 t90 -94.05 3.11 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.542 ' HA ' HG21 ' A' ' 126' ' ' VAL . 8.8 tpt85 -101.53 -26.94 13.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.626 HG22 HG13 ' A' ' 31' ' ' VAL . 60.6 mt -89.19 -59.33 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.43 -64.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -52.97 -178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -112.5 49.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 128' ' ' LYS . 84.2 t -40.47 136.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 126' ' ' VAL . 5.7 pm0 -34.89 -37.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LYS . . . . . 0.566 ' H ' HG12 ' A' ' 126' ' ' VAL . 7.7 mmmm -124.89 92.91 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.9 p -75.97 168.31 20.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.0 132.69 3.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.0 t -67.18 109.71 3.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 t -84.99 128.03 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -113.22 -46.91 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -49.54 123.19 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.75 150.53 2.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -86.76 149.92 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -92.27 122.27 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.83 158.69 10.83 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -74.18 -42.82 59.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -132.55 80.14 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -83.32 -47.06 11.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.1 -45.11 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -46.21 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -60.93 -13.26 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.92 -45.34 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' MET . 22.8 mt -56.44 -65.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HA ' ' CD2' ' A' ' 19' ' ' HIS . 6.3 pt-20 -38.87 -36.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.467 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 1.5 t80 -75.03 -38.92 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 24' ' ' PHE . 11.1 mmm -57.4 -49.7 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -70.26 -23.12 62.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -67.31 -13.58 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD22 ' HA2' ' A' ' 84' ' ' GLY . 77.5 mt -103.8 144.86 29.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.83 5.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -26.64 68.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' A' ' 18' ' ' MET . 2.7 m-85 -97.56 -25.08 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.34 12.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.65 -40.38 59.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.512 ' SD ' HG11 ' A' ' 31' ' ' VAL . 13.0 mtt -87.73 166.08 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -108.37 173.36 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.4 mmm -41.55 -59.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -39.38 -69.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG11 ' SD ' ' A' ' 27' ' ' MET . 19.9 t -44.47 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.7 -47.0 30.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -61.17 -49.44 77.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -56.9 -50.74 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD22 HD13 ' A' ' 114' ' ' ILE . 27.7 mt -51.99 -48.35 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 t -47.09 -20.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t -76.73 -36.23 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 118' ' ' ASP . 25.8 m -114.4 23.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.951 ' SD ' HD11 ' A' ' 114' ' ' ILE . 1.5 mmt -90.93 119.37 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mt -86.75 140.62 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' C ' ' OE1' ' A' ' 42' ' ' GLU . 47.6 m-85 -97.0 126.9 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 41' ' ' PHE . 20.5 mp0 -143.33 145.72 32.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.56 124.77 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.545 HG11 ' HB3' ' A' ' 49' ' ' ALA . 84.5 t -93.55 126.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.21 -36.94 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -83.69 112.66 20.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 167.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.98 24.14 57.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -81.13 140.05 35.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.713 HD12 ' N ' ' A' ' 50' ' ' ILE . 2.2 mp -78.7 117.6 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.932 HD11 HG23 ' A' ' 104' ' ' THR . 4.9 mm -83.26 -40.51 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.3 mt -143.79 172.44 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.21 133.7 41.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 2.5 t70 -56.57 124.93 19.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.63 33.79 9.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -119.56 110.94 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 97' ' ' TYR . 8.1 tt0 -46.68 99.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 96' ' ' GLN . 4.1 mt -65.7 126.75 29.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -129.72 28.67 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -171.64 142.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -86.57 138.5 31.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 37.2 m-85 -120.1 135.59 54.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.6 t -136.46 120.56 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 mt -54.4 119.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD11 ' HB ' ' A' ' 112' ' ' VAL . 92.8 mt -97.09 -41.31 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -156.0 135.46 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.79 -170.52 20.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 m -122.26 150.13 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.11 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.481 HG11 ' HE2' ' A' ' 111' ' ' PHE . 31.1 m -133.62 133.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -112.68 131.53 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.664 ' O ' HG13 ' A' ' 78' ' ' VAL . 51.8 mt -107.67 140.23 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -124.11 147.77 47.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -117.31 146.77 39.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.49 37.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.236 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.99 -47.36 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.98 37.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -136.54 149.41 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 71' ' ' ILE . 31.8 t -138.37 116.38 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -88.23 158.47 18.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.07 111.56 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.931 HD22 ' CG ' ' A' ' 85' ' ' ASN . 66.3 mt -106.41 154.81 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' MET . 42.4 m-85 -132.88 160.15 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' PHE . 17.2 ttt -36.52 109.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.596 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 134.97 -33.29 2.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.931 ' CG ' HD22 ' A' ' 81' ' ' LEU . 7.8 t-20 -68.2 174.17 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 p -145.23 136.16 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 34.1 p90 -143.96 146.81 33.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 145.52 -112.7 0.66 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.7 pt -119.91 -178.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -103.41 157.93 32.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.73 1.37 4.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.618 2.212 . . . . 0.0 112.378 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.7 p -100.23 135.47 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.511 HD21 ' CE3' ' A' ' 120' ' ' TRP . 42.8 mt -35.87 -32.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 7.9 m-20 -46.54 143.64 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -104.61 161.7 13.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' O ' HD12 ' A' ' 58' ' ' LEU . 5.6 pt20 -156.48 147.92 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 3.6 m-85 -103.59 160.57 14.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.7 tpt -69.8 151.41 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -122.62 34.0 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 164.63 -167.81 38.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.3 mt -116.48 140.94 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.1 t -115.11 130.88 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -142.93 130.81 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.932 HG23 HD11 ' A' ' 51' ' ' ILE . 37.2 p -61.24 158.44 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -28.89 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.52 -176.62 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.22 168.86 9.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 70.61 26.4 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.3 m -81.1 136.73 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -112.1 143.5 43.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.481 ' HE2' HG11 ' A' ' 69' ' ' VAL . 70.6 m-85 -142.58 164.92 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.604 HG21 ' SD ' ' A' ' 39' ' ' MET . 9.3 p -129.0 148.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.436 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 21.5 m -127.77 147.82 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.951 HD11 ' SD ' ' A' ' 39' ' ' MET . 63.1 mt -146.53 125.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.52 129.26 39.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 119' ' ' TYR . 13.5 tt0 -40.87 -64.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 116' ' ' GLN . 30.7 mm-40 -36.48 -59.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.589 ' HB3' HG21 ' A' ' 38' ' ' VAL . 20.2 m-20 -63.62 -30.42 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.0 t80 -72.23 -19.31 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.545 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 43.4 t90 -110.19 2.38 19.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -98.18 -15.26 19.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 31' ' ' VAL . 57.4 mt -101.97 -69.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.42 -46.26 18.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.409 ' CG ' ' CD1' ' A' ' 120' ' ' TRP . 11.7 m120 -72.4 -175.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -121.42 54.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 3.5 p -82.72 136.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -54.17 145.38 17.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? 60.11 41.84 16.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.3 p -80.15 -177.39 6.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.83 122.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -10.81 29.5 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.8 p -162.34 154.11 18.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.2 m -147.43 164.12 34.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -164.96 172.06 13.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -108.24 4.16 24.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.82 -159.63 25.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 m -138.88 148.51 43.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -117.77 102.76 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.81 -158.35 9.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -106.76 -58.34 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -117.92 74.94 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -66.56 -49.56 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.5 mt -50.56 -33.52 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.44 -32.75 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -79.45 -18.93 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 36' ' ' CYS . 4.0 mt -91.79 -62.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD21 ' N ' ' A' ' 33' ' ' ARG . 14.3 mt -35.7 -55.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -56.24 -40.58 74.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.2 t80 -67.28 -37.07 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.512 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 38.9 mtp -62.1 -11.93 16.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.4 -7.42 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -103.76 -15.51 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 30.9 mt -97.3 137.73 21.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -43.66 2.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.3 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.01 -28.41 57.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CE1' ' HE3' ' A' ' 18' ' ' MET . 30.4 m-85 -95.51 -51.65 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.14 -32.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -52.42 -49.07 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.849 ' SD ' HD11 ' A' ' 35' ' ' LEU . 7.1 mtt -72.02 174.95 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' MET . 8.9 t -96.67 160.58 14.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' THR . 1.1 tpt -36.59 -68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' MET . 39.4 m -38.43 -66.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 27' ' ' MET . 20.3 t -38.09 -59.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.606 ' HA ' HD12 ' A' ' 35' ' ' LEU . 84.2 mtt180 -39.13 -58.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.498 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.9 tmt_? -53.44 -54.99 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.553 ' HB2' HG21 ' A' ' 122' ' ' ILE . 13.7 mm-40 -46.56 -47.5 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.849 HD11 ' SD ' ' A' ' 27' ' ' MET . 13.6 mt -51.53 -52.01 50.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 14' ' ' LEU . 6.6 t -55.91 -16.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -72.87 -31.84 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.38 19.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.7 mtt -74.75 134.58 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 112' ' ' VAL . 59.4 mt -97.16 151.18 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -109.77 109.38 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -141.92 132.81 25.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 109' ' ' CYS . 6.9 p -141.89 129.03 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.7 t -84.36 127.2 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -88.37 -34.13 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -95.18 123.53 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.98 176.54 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.0 33.38 29.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.23 144.28 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.312 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.72 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -81.07 117.66 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.009 HD11 HG23 ' A' ' 104' ' ' THR . 3.8 mm -83.16 -40.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.1 mt -145.19 172.91 12.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -133.06 143.19 49.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -63.93 126.8 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.37 23.52 24.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -107.73 122.27 46.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 91.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 88' ' ' GLY . 5.6 mt -65.66 124.86 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.63 -8.69 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 139.82 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.1 t90 -91.56 119.03 31.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 6.8 m-85 -101.18 145.9 28.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 86' ' ' SER . 58.6 t -138.26 139.55 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 mt -80.74 123.6 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 112' ' ' VAL . 70.6 mt -107.48 -35.18 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -153.21 134.54 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.55 -169.85 19.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -132.72 133.54 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.152 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.19 141.51 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -116.62 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mt -111.36 134.59 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -118.07 140.1 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -111.86 148.34 38.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -17.98 36.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.11 -49.69 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.45 34.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -127.72 146.86 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.5 t -133.91 101.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 159.59 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.39 106.85 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.06 HD22 ' CG ' ' A' ' 85' ' ' ASN . 15.3 mt -99.85 153.55 19.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -128.61 166.79 18.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.9 ttt -39.7 110.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.651 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 135.09 -34.19 2.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 1.06 ' CG ' HD22 ' A' ' 81' ' ' LEU . 12.1 t-20 -74.74 170.2 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.775 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -145.6 146.07 31.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 10.4 p90 -142.22 151.45 42.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.507 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 140.5 -112.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.528 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.2 pt -115.32 -175.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.33 160.2 30.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.477 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 0.53 5.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' ASP . 46.7 p -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.7 mt -37.82 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.47 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.7 m-20 -48.69 150.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.89 175.36 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 6.5 mp0 -150.41 165.42 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -139.14 132.53 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.0 tpt -65.07 139.4 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -120.53 32.29 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.18 178.98 48.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.41 117.8 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.55 141.63 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -149.47 130.84 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.009 HG23 HD11 ' A' ' 51' ' ' ILE . 70.9 p -60.1 158.99 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -104.44 -34.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.0 -179.38 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.39 168.1 11.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.22 48.42 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.713 ' O ' HG23 ' A' ' 43' ' ' VAL . 35.9 m -93.16 127.93 38.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -99.22 145.46 27.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 64.6 m-85 -152.32 153.37 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 40' ' ' ILE . 13.6 p -126.41 142.23 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 63.1 m -120.19 143.56 48.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 119' ' ' TYR . 74.6 mt -136.61 119.54 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.82 136.81 39.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' TYR . 32.8 tt0 -49.35 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.4 mp0 -36.94 -61.5 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.23 -30.32 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.1 t80 -71.32 -23.36 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.55 ' CG ' ' O ' ' A' ' 120' ' ' TRP . 9.9 t90 -104.28 -2.31 25.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -98.86 -0.13 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 34' ' ' GLU . 72.5 mt -112.75 -59.92 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -84.99 -175.78 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -115.84 54.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.49 HG21 ' CH2' ' A' ' 120' ' ' TRP . 79.3 t -73.86 -47.59 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -130.59 144.86 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -49.66 -55.83 12.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -96.15 173.36 7.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.94 -157.71 14.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -26.87 26.95 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.8 p -85.24 120.25 26.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.2 m -62.76 177.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -142.73 171.49 13.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -112.26 -46.98 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.25 -136.99 13.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -65.92 100.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -164.3 140.42 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.88 152.14 19.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.66 -44.28 96.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.09 51.88 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.82 -46.12 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mm -52.52 -69.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -40.61 -58.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -53.08 -33.44 52.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -69.81 -51.12 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -56.93 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -46.7 -31.97 3.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.6 t80 -82.99 -37.68 23.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.551 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 28.3 mmm -49.0 -20.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.515 ' CE1' ' HG3' ' A' ' 20' ' ' GLN . 2.1 p-80 -69.84 -35.36 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.515 ' HG3' ' CE1' ' A' ' 19' ' ' HIS . 22.8 mt-30 -60.46 -38.69 85.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.916 HD12 ' CD2' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -83.95 133.81 45.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.664 0.745 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.56 9.01 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.697 2.264 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.28 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.916 ' CD2' HD12 ' A' ' 21' ' ' LEU . 21.7 m-85 -89.42 -48.5 7.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.66 -51.33 21.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -40.94 -41.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.0 mtt -69.43 176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' MET . 1.3 p -103.46 158.41 16.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' THR . 14.7 tpt -35.89 -56.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -49.69 -66.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 122' ' ' ILE . 93.9 t -46.87 -54.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 28' ' ' THR . 44.9 mtt180 -45.69 -57.88 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.7 tmt_? -57.8 -58.34 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -40.46 -44.52 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HA ' HG22 ' A' ' 38' ' ' VAL . 29.3 mt -62.54 -45.68 91.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.6 t -59.72 -14.59 14.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -97.03 -8.01 31.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 35' ' ' LEU . 26.5 m -130.12 8.62 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.505 ' HE2' ' HB3' ' A' ' 39' ' ' MET . 2.1 ptp -103.13 135.9 43.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 41' ' ' PHE . 30.6 mt -82.39 160.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.552 ' N ' HG22 ' A' ' 40' ' ' ILE . 35.2 m-85 -111.23 109.36 19.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.5 150.0 51.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.26 120.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.3 t -84.04 129.85 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -93.92 -39.19 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.29 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' CG ' ' A' ' 107' ' ' ASP . . . -52.94 -175.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.0 33.23 2.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.5 141.37 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.063 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.728 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.6 mp -79.54 110.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.077 HD11 HG23 ' A' ' 104' ' ' THR . 4.1 mm -74.28 -42.19 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 58' ' ' LEU . 64.3 mt -146.09 161.34 40.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -115.71 141.62 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -56.93 129.72 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.03 62.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.11 117.85 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.05 93.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 88' ' ' GLY . 6.3 mt -64.48 117.76 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 89' ' ' ILE . 44.4 t0 -121.59 -28.96 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.471 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 1.4 m -108.78 132.44 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -77.06 139.42 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.6 m-85 -118.32 128.87 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 24' ' ' PHE . 53.7 t -122.6 126.2 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.618 HD11 ' CG2' ' A' ' 69' ' ' VAL . 95.5 mt -66.78 110.45 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.45 -36.9 13.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -157.8 140.07 14.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.67 -176.63 33.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 81' ' ' LEU . 16.0 m -124.96 135.12 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.618 ' CG2' HD11 ' A' ' 64' ' ' ILE . 20.3 m -116.46 132.22 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -104.21 129.18 51.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 78' ' ' VAL . 36.6 mt -104.3 138.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 p -115.73 129.2 56.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.61 146.31 32.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.16 32.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.94 -39.43 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.94 32.63 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.48 161.31 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 71' ' ' ILE . 71.6 t -143.62 115.44 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.12 147.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.43 106.86 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 85' ' ' ASN . 40.0 mt -99.52 159.75 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.64 170.18 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.5 ttt -45.43 121.03 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.472 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 112.99 -28.92 8.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . 0.564 ' HB3' HD22 ' A' ' 81' ' ' LEU . 5.9 m120 -66.4 161.39 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.0 p -129.81 161.27 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -169.94 151.81 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.63 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 135.93 -104.12 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.45 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 7.6 pt -113.13 -178.49 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.0 160.68 26.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.27 3.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.1 p -97.23 148.98 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.596 HD21 ' CE3' ' A' ' 120' ' ' TRP . 18.3 mt -58.46 -19.17 34.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.26 149.59 32.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.29 168.39 10.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.476 ' N ' ' CD ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -152.69 161.69 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.423 ' O ' ' CE1' ' A' ' 99' ' ' HIS . 17.2 m-85 -125.17 134.86 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.451 ' SD ' HD21 ' A' ' 58' ' ' LEU . 10.6 tpt -61.31 136.35 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.423 ' CE1' ' O ' ' A' ' 97' ' ' TYR . 45.8 m80 -115.9 34.99 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.23 -166.78 35.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.4 mt -126.59 122.6 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.5 t -93.11 134.88 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -149.34 132.18 16.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.077 HG23 HD11 ' A' ' 51' ' ' ILE . 74.6 p -63.11 160.06 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -109.33 -21.72 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.08 177.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -93.32 175.46 6.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 54.53 41.56 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 5.6 m -87.75 128.09 35.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -99.94 145.21 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -146.85 168.74 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 2.2 p -140.86 140.07 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 6.3 m -114.62 123.49 49.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.62 130.7 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.73 136.99 57.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 119' ' ' TYR . 20.3 tt0 -50.03 -61.35 2.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -44.22 -51.06 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.35 -24.01 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 116' ' ' GLN . 10.8 t80 -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.596 ' CE3' HD21 ' A' ' 93' ' ' LEU . 34.7 t90 -110.55 0.28 17.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.527 ' HG2' HG11 ' A' ' 126' ' ' VAL . 23.0 mtm180 -105.51 -12.08 16.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.631 HG22 HG13 ' A' ' 31' ' ' VAL . 89.5 mt -100.89 -53.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -58.68 5.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -54.99 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -94.29 55.12 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.527 HG11 ' HG2' ' A' ' 121' ' ' ARG . 97.6 t -104.12 148.17 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 126' ' ' VAL . 44.7 mt-10 -36.03 103.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -80.84 96.0 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.1 t -123.05 108.8 13.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 131' ' ' PRO . . . -39.32 100.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 130' ' ' GLY . 53.6 Cg_endo -69.8 168.5 21.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.302 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.3 t -92.87 147.2 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 31.9 t -137.42 135.08 36.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -72.82 -55.25 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -72.71 142.35 48.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.94 -109.98 0.28 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -78.78 -51.31 9.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.366 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -87.33 88.33 7.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.92 84.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -84.85 -53.39 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -113.63 43.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -47.41 -54.43 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.5 mm -44.85 -49.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.75 -49.57 77.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.12 -23.66 62.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 14' ' ' LEU . 5.4 tp -86.94 -39.79 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.78 -52.49 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.4 -34.33 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -70.08 -54.75 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.551 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.8 mtp -50.94 -35.23 32.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH12 ' A' ' 32' ' ' ARG . 12.2 t-80 -58.17 -30.81 66.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -73.12 -48.18 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.586 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 24.5 mt -62.48 140.35 96.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -38.35 7.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.36 -26.44 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 38.8 m-85 -103.27 -26.77 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.67 -50.3 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' HG3' ' A' ' 27' ' ' MET . 15.7 p-10 -41.16 -50.27 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.429 ' HG3' ' ND2' ' A' ' 26' ' ' ASN . 17.7 mtt -73.34 167.16 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -96.66 175.84 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.4 OUTLIER -51.25 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' MET . 1.4 t -37.78 -64.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG12 HD11 ' A' ' 35' ' ' LEU . 70.3 t -43.49 -52.83 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.7 mtt180 -53.53 -55.54 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -50.6 59.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -56.09 -41.38 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' ARG . 9.7 mt -63.94 -46.54 84.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.92 -20.72 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -17.89 26.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 35' ' ' LEU . 17.2 m -120.97 18.0 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.676 ' SD ' HG21 ' A' ' 112' ' ' VAL . 2.8 ptp -111.36 145.26 39.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 112' ' ' VAL . 6.7 mt -100.17 147.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -103.57 115.36 30.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -125.71 148.3 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -138.73 113.78 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.46 123.23 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -93.63 -44.75 8.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.7 114.53 21.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.85 170.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.43 9.36 11.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.48 141.01 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.719 HD12 ' N ' ' A' ' 50' ' ' ILE . 1.3 mp -80.54 121.34 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 1.011 HD11 HG23 ' A' ' 104' ' ' THR . 4.0 mm -90.81 -40.27 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.533 ' HB2' HG23 ' A' ' 102' ' ' VAL . 78.1 mt -144.13 150.14 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -111.55 143.78 41.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 15.3 p-10 -60.44 126.37 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.41 25.97 41.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -106.05 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -39.53 106.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 11.5 mt -74.73 107.61 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -124.33 37.59 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.49 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 69.2 p -173.16 129.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TRP . . . . . 0.418 ' N ' HG12 ' A' ' 89' ' ' ILE . 25.6 t90 -79.45 143.11 35.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.497 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 48.2 m-85 -122.05 149.81 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG11 ' CE2' ' A' ' 24' ' ' PHE . 63.8 t -142.66 126.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.35 105.22 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.67 -42.63 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -152.05 148.96 28.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.87 -173.02 36.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.6 m -128.78 137.93 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.45 HG12 HG22 ' A' ' 104' ' ' THR . 20.8 m -121.61 151.83 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -124.39 136.93 54.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.0 mt -110.51 137.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -114.34 121.25 43.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -96.48 147.44 32.95 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.631 0.729 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.23 34.95 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.741 2.294 . . . . 0.0 112.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.39 29.84 0.89 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 149.33 44.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.4 t -130.06 109.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -81.98 146.72 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -123.41 110.2 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.3 153.68 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -134.52 170.84 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.9 ttt -42.8 118.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.439 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 119.83 -31.06 5.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -72.44 162.59 29.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -134.18 146.26 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.5 p90 -151.77 156.5 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.72 -132.77 6.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 23.9 pt -88.47 -175.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.01 160.52 33.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.586 0.708 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.75 2.42 3.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 94' ' ' ASP . 30.1 p -103.69 135.47 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.894 HD21 ' CE3' ' A' ' 120' ' ' TRP . 15.3 mt -41.63 -26.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.1 m-20 -47.58 132.41 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -92.58 146.93 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -136.64 163.52 30.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.86 140.2 52.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.16 130.35 46.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -106.95 28.35 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -174.77 -156.65 14.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.81 120.18 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.533 HG23 ' HB2' ' A' ' 52' ' ' LEU . 9.7 t -90.77 136.87 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -150.19 131.08 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . 1.011 HG23 HD11 ' A' ' 51' ' ' ILE . 73.2 p -65.34 159.85 23.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -111.14 -24.11 10.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.17 -176.62 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.22 173.86 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.19 25.51 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.1 m -72.74 130.89 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -103.21 136.42 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 82.5 m-85 -141.28 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' VAL . . . . . 0.676 HG21 ' SD ' ' A' ' 39' ' ' MET . 7.7 p -141.98 140.33 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -113.49 140.2 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.404 HD13 HD22 ' A' ' 35' ' ' LEU . 26.7 mt -138.6 125.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.21 158.03 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.11 -54.5 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -48.49 -42.53 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' HA ' ' CG ' ' A' ' 121' ' ' ARG . 14.3 m-20 -75.92 -26.23 56.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.508 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.8 t80 -80.05 -8.94 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TRP . . . . . 0.894 ' CE3' HD21 ' A' ' 93' ' ' LEU . 32.8 t90 -114.33 -10.55 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.406 ' CG ' ' HA ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -98.2 -21.92 16.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.445 HG22 HG13 ' A' ' 31' ' ' VAL . 94.2 mt -87.61 -54.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.54 -70.95 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -52.04 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -110.5 53.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.76 141.31 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.92 147.47 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.18 41.88 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.2 p -54.36 168.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 92.01 120.75 2.67 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 132' ' ' SER . 54.0 Cg_endo -69.74 159.17 54.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' PRO . 40.5 t -35.58 121.63 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.9 t -89.81 111.1 22.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HA ' HD12 ' A' ' 15' ' ' LEU . 12.0 mm-40 -50.1 -56.5 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -50.88 -37.99 46.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.62 -36.35 62.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.696 HD21 ' HA ' ' A' ' 33' ' ' ARG . 50.3 mt -55.84 -50.54 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.72 -40.26 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 1.1 t80 -71.8 -38.17 70.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.535 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 30.3 mmm -54.88 -42.63 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 22.9 t60 -61.84 -38.56 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -51.78 -42.26 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.601 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 17.6 mt -79.8 142.6 56.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -46.1 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.723 2.282 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.44 64.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.743 ' CE2' HG11 ' A' ' 63' ' ' VAL . 13.1 m-85 -86.64 -9.69 55.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.46 -29.34 16.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.75 -28.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.18 149.32 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.734 HG22 HG23 ' A' ' 31' ' ' VAL . 6.8 t -50.63 169.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' ARG . 5.4 tpp -62.38 -55.72 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 m -37.95 -49.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.838 HG13 HG22 ' A' ' 122' ' ' ILE . 57.9 t -57.72 -39.46 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' MET . 52.4 mtt180 -61.04 -55.0 37.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.696 ' HA ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -55.48 -41.81 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 24.7 mt-10 -62.14 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HA ' HG22 ' A' ' 38' ' ' VAL . 14.7 mt -61.08 -41.34 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.29 -17.94 23.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 m -95.63 -9.96 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 35' ' ' LEU . 4.4 m -127.27 16.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.708 ' SD ' HG21 ' A' ' 112' ' ' VAL . 5.8 ptp -112.6 137.64 50.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 112' ' ' VAL . 16.3 mt -84.53 158.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . 44.7 m-85 -108.76 116.84 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -142.14 142.41 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -146.97 117.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 49' ' ' ALA . 99.5 t -76.74 128.06 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -93.78 -42.04 9.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -87.5 103.74 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' CG ' ' A' ' 107' ' ' ASP . . . -50.05 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.06 30.03 22.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -94.9 144.44 25.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.724 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.5 mp -79.84 125.47 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.951 HD11 HG23 ' A' ' 104' ' ' THR . 3.6 mm -93.8 -39.91 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.9 mt -148.32 143.42 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 1.8 mp0 -103.42 160.21 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -74.87 128.31 35.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 30.59 14.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -109.71 126.91 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.34 95.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 88' ' ' GLY . 12.3 mt -67.21 115.28 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -122.22 -5.39 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.4 m -125.63 147.9 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -93.85 132.53 38.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 20.2 m-85 -112.63 142.67 44.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.743 HG11 ' CE2' ' A' ' 24' ' ' PHE . 86.2 t -138.05 124.88 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.33 106.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.39 -37.92 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -154.4 149.11 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.13 175.49 50.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 81' ' ' LEU . 30.9 m -112.94 144.9 41.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.8 m -126.66 132.84 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -105.55 136.54 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.605 ' O ' HG13 ' A' ' 78' ' ' VAL . 61.7 mt -113.0 139.68 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -120.72 140.66 51.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.39 151.9 44.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.4 29.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' GLY . 2.6 p30 -73.61 -37.44 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . 132.52 27.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -117.57 144.63 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 71' ' ' ILE . 39.8 t -132.86 111.08 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.42 158.79 23.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.15 107.85 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 68' ' ' THR . 14.7 mt -106.33 153.78 21.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' MET . 37.3 m-85 -132.62 163.56 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' PHE . 12.6 ttt -35.32 120.49 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.57 -36.61 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.67 165.09 6.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.5 p -132.63 153.36 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 27.8 p90 -161.76 157.32 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.557 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 131.94 -95.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 9.0 pt -134.21 168.27 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.33 159.52 33.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.504 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.83 2.92 3.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.3 p -100.03 136.38 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.723 HD21 ' CE3' ' A' ' 120' ' ' TRP . 94.8 mt -40.69 -32.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -51.06 124.91 12.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.66 172.99 11.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.7 162.32 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -121.0 134.49 55.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 tpt -60.25 129.39 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.52 39.2 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.34 -178.01 45.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 77.2 mt -116.7 125.78 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.1 t -97.99 141.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -150.91 130.85 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.951 HG23 HD11 ' A' ' 51' ' ' ILE . 74.1 p -60.15 155.49 17.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -104.54 -26.57 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.2 m -133.7 170.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.449 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -85.44 175.39 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 54.21 43.25 30.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 7.3 m -88.28 124.17 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -98.58 149.71 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 70.7 m-85 -153.52 174.07 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.708 HG21 ' SD ' ' A' ' 39' ' ' MET . 6.4 p -145.78 137.72 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -114.41 125.69 54.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.554 HD13 HD22 ' A' ' 35' ' ' LEU . 71.4 mt -125.41 128.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.98 147.01 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.34 -58.38 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -41.72 -60.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 -25.44 66.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.1 t80 -77.31 -19.01 57.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.99 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.723 ' CE3' HD21 ' A' ' 93' ' ' LEU . 48.0 t90 -109.43 1.62 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -103.81 -11.53 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.838 HG22 HG13 ' A' ' 31' ' ' VAL . 71.2 mt -103.37 -63.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.476 ' HG ' HG11 ' A' ' 31' ' ' VAL . 4.3 mp -55.12 -44.74 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -81.24 -175.94 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.2 m80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.771 0.319 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -52.95 -30.55 35.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -77.26 -24.32 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' PHE . 3.9 mt -84.61 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.463 HD21 ' CA ' ' A' ' 33' ' ' ARG . 64.1 mt -34.22 -58.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -45.11 -42.3 8.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.9 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.7 t80 -74.24 -38.08 63.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 24' ' ' PHE . 35.0 mtp -71.82 -11.97 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -84.9 -15.4 44.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -100.11 -2.41 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.9 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 40.1 mt -102.69 143.04 25.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -43.5 2.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.43 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 18' ' ' MET . 9.2 m-85 -101.73 -22.19 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.99 -32.15 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -46.45 -50.85 16.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.48 165.94 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.816 HG23 HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -74.27 157.25 36.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -46.82 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.4 p -45.16 -34.59 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.816 HG23 HG23 ' A' ' 28' ' ' THR . 89.4 t -69.78 -38.47 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.682 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.4 mtt180 -56.13 -67.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CA ' HD21 ' A' ' 15' ' ' LEU . 1.5 tmt_? -46.15 -40.39 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.42 -44.86 86.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 32' ' ' ARG . 14.1 mt -53.0 -51.99 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.419 ' SG ' HD13 ' A' ' 14' ' ' LEU . 2.1 t -44.9 -21.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' LEU . 4.9 t -69.61 -40.06 76.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.67 HG11 ' OD2' ' A' ' 118' ' ' ASP . 29.5 m -117.05 24.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.942 ' SD ' HD11 ' A' ' 114' ' ' ILE . 4.0 mmm -88.06 127.35 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.634 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 mm -86.32 160.96 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 40' ' ' ILE . 57.3 m-85 -124.31 110.71 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -137.47 142.22 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.684 HG22 ' HG2' ' A' ' 110' ' ' GLN . 90.4 t -140.72 125.99 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 49' ' ' ALA . 92.3 t -95.8 123.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -92.56 -38.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -81.41 115.55 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 172.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 54.65 22.35 24.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -79.75 139.39 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.069 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.729 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.7 mp -80.06 113.51 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.057 HD11 HG23 ' A' ' 104' ' ' THR . 3.1 mm -77.87 -41.56 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 32.5 mt -148.93 158.86 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -111.86 169.48 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -82.7 138.8 33.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.52 65.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -125.84 122.29 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -56.73 104.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.494 ' HB2' HG22 ' A' ' 89' ' ' ILE . 8.3 mt -79.69 121.41 25.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.49 23.59 8.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.592 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 45.1 p -157.81 118.31 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 26.2 t90 -71.79 133.06 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 60' ' ' SER . 44.4 m-85 -110.78 143.18 41.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.461 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 64.2 t -135.36 127.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.09 107.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.647 HD11 ' HB ' ' A' ' 112' ' ' VAL . 78.6 mt -93.57 -33.04 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.4 147.84 19.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.86 -178.72 51.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' LEU . 54.1 m -119.55 136.24 54.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.34 133.26 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -110.09 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.547 HG12 HG22 ' A' ' 102' ' ' VAL . 45.4 mt -107.75 138.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -119.9 133.34 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -106.19 146.26 32.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.88 37.28 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -78.13 -44.0 27.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.19 36.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -132.1 150.98 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 71' ' ' ILE . 48.3 t -135.71 109.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.56 139.47 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.69 115.84 25.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 85' ' ' ASN . 9.8 mt -106.74 159.23 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -139.52 171.03 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 20.0 ttt -39.3 119.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.542 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 119.0 -43.76 1.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.559 ' HB3' HD22 ' A' ' 81' ' ' LEU . 18.5 m120 -64.56 164.65 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -138.17 158.32 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 36.0 p90 -157.48 158.95 36.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 132.9 -105.65 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.3 pt -121.04 -179.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.43 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -107.92 159.43 30.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.553 0.692 . . . . 0.0 111.174 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 2.81 3.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' ASP . 77.5 p -91.95 133.15 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.536 HD21 ' CE3' ' A' ' 120' ' ' TRP . 47.1 mt -43.05 -23.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.421 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 1.2 m-20 -52.7 171.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -126.59 141.11 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.43 ' OE1' ' N ' ' A' ' 90' ' ' THR . 0.5 OUTLIER -127.36 157.2 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -121.86 125.46 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -44.79 134.65 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -110.96 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.87 -158.44 15.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.75 124.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.547 HG22 HG12 ' A' ' 71' ' ' ILE . 21.2 t -95.68 135.29 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -146.01 131.28 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.057 HG23 HD11 ' A' ' 51' ' ' ILE . 34.1 p -65.32 152.69 43.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -100.78 -24.93 14.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.7 m -134.61 178.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.01 167.84 10.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.3 t0 67.21 33.48 5.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 8.6 m -79.7 139.17 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.684 ' HG2' HG22 ' A' ' 43' ' ' VAL . 52.6 mt-30 -112.26 131.94 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 109' ' ' CYS . 51.9 m-85 -138.75 154.7 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.647 ' HB ' HD11 ' A' ' 65' ' ' LEU . 7.3 p -126.26 141.51 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.427 ' C ' HG13 ' A' ' 114' ' ' ILE . 94.3 m -116.22 150.13 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.942 HD11 ' SD ' ' A' ' 39' ' ' MET . 63.3 mt -146.11 125.41 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.97 137.99 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' TYR . 37.2 tt0 -49.94 -64.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -40.22 -58.27 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.67 ' OD2' HG11 ' A' ' 38' ' ' VAL . 2.3 m-20 -61.25 -26.81 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.4 t80 -75.35 -26.99 59.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.549 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 64.3 t90 -101.44 6.61 42.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -100.37 -22.26 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.595 ' CG2' HG13 ' A' ' 31' ' ' VAL . 55.2 mt -96.56 -71.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 123' ' ' LEU . 5.1 mp -44.2 -43.71 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.87 -175.06 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -64.17 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.38 -23.01 35.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' SG ' ' A' ' 36' ' ' CYS . 33.2 tp -86.41 -52.0 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -43.92 -58.18 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -40.59 -35.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -80.5 -41.8 23.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.524 ' HG2' ' CG ' ' A' ' 24' ' ' PHE . 21.9 mtp -65.96 -12.45 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -82.71 -42.41 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' PHE . 9.0 pt20 -66.64 -25.42 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.587 HD22 ' HA2' ' A' ' 84' ' ' GLY . 7.5 mt -79.72 141.05 55.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -50.95 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.91 -38.3 67.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 23.6 m-85 -82.6 -28.71 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.78 -30.87 61.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -41.0 -38.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.62 -176.83 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 30' ' ' SER . 10.2 t -89.76 -178.68 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.1 mtp -74.27 -15.21 60.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.634 ' H ' HG23 ' A' ' 28' ' ' THR . 6.3 t -74.62 -28.94 61.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 HG13 HG22 ' A' ' 122' ' ' ILE . 77.6 t -82.23 -40.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -45.07 -46.75 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' 122' ' ' ILE . 35.4 mm-40 -57.67 -43.21 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.814 HD22 HD13 ' A' ' 114' ' ' ILE . 20.8 mt -62.13 -49.64 75.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 14' ' ' LEU . 32.5 t -48.01 -20.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -72.46 -36.43 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 118' ' ' ASP . 21.2 m -116.54 25.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.486 ' HE1' ' HE3' ' A' ' 18' ' ' MET . 10.6 mtt -88.86 134.8 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.687 HD12 ' HB3' ' A' ' 113' ' ' CYS . 6.1 mt -103.14 134.06 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -96.4 120.54 36.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -141.07 143.53 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.567 HG22 ' HG2' ' A' ' 110' ' ' GLN . 59.8 t -133.46 134.49 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.65 123.96 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -94.87 -44.41 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 42.2 mt-30 -74.62 100.36 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.0 164.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.15 20.14 53.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 46' ' ' GLN . . . -74.5 149.17 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.5 mp -85.44 119.93 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.947 HD11 HG23 ' A' ' 104' ' ' THR . 3.3 mm -84.81 -41.77 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 51' ' ' ILE . 45.9 mt -146.16 158.5 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -117.13 150.11 39.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.72 121.85 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 16.49 43.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -94.65 114.41 26.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.05 92.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 89' ' ' ILE . 16.9 mt -62.44 128.73 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -133.51 12.07 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 m -149.02 139.55 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.651 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 25.1 t90 -85.33 134.73 34.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -118.02 137.41 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.49 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 60.4 t -133.22 125.62 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.4 HD11 ' CG2' ' A' ' 69' ' ' VAL . 20.0 mt -66.55 117.69 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' HB ' ' A' ' 112' ' ' VAL . 67.6 mt -98.22 -35.88 10.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -156.51 143.82 19.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.73 -173.05 30.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.6 m -128.95 134.7 48.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG12 HG22 ' A' ' 104' ' ' THR . 16.2 m -120.62 140.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -111.67 147.48 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.67 HD11 HD11 ' A' ' 81' ' ' LEU . 45.7 mt -126.0 143.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -128.98 134.36 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . 0.441 ' CD2' ' HE2' ' A' ' 77' ' ' LYS . 93.3 m-70 -100.99 148.44 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.89 33.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.34 -44.71 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.21 41.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.441 ' HE2' ' CD2' ' A' ' 73' ' ' HIS . 24.7 ttpt -133.42 159.79 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.891 0.377 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 71' ' ' ILE . 58.5 t -144.24 117.11 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -91.56 154.72 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.83 109.26 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.67 HD11 HD11 ' A' ' 71' ' ' ILE . 6.5 mt -103.76 158.19 16.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 83' ' ' MET . 63.2 m-85 -140.37 164.74 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.5 ttt -37.68 118.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.587 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 117.31 -33.14 5.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB3' HD22 ' A' ' 81' ' ' LEU . 5.2 m120 -61.41 -179.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.8 p -152.08 148.36 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -158.63 148.63 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.07 -115.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.527 HG23 ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -109.91 -175.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.22 158.96 33.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 2.65 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 146.5 23.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.608 HD21 ' CE3' ' A' ' 120' ' ' TRP . 9.7 mt -52.0 -24.73 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.59 136.13 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -138.22 144.33 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.78 141.82 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.06 147.32 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 15.01 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.46 -158.35 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.0 mt -131.84 127.6 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.01 135.07 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -146.75 130.82 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.947 HG23 HD11 ' A' ' 51' ' ' ILE . 27.2 p -61.01 163.2 6.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -111.61 -25.02 9.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 m -134.68 -176.33 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.84 -178.73 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.05 30.19 9.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.7 m -79.17 117.32 20.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.567 ' HG2' HG22 ' A' ' 43' ' ' VAL . 71.4 mt-30 -95.03 141.97 28.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.6 m-85 -143.47 160.18 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.587 ' HB ' HD11 ' A' ' 65' ' ' LEU . 8.5 p -126.49 145.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.687 ' HB3' HD12 ' A' ' 40' ' ' ILE . 1.8 t -119.36 143.75 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.814 HD13 HD22 ' A' ' 35' ' ' LEU . 56.2 mt -145.91 120.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.26 154.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.41 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.41 -59.75 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.871 ' HB3' HG21 ' A' ' 38' ' ' VAL . 71.1 m-20 -55.69 -31.62 62.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.651 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 6.4 t80 -75.97 -15.98 60.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.608 ' CE3' HD21 ' A' ' 93' ' ' LEU . 43.8 t90 -110.27 1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -105.19 4.76 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.455 HG22 HG13 ' A' ' 31' ' ' VAL . 29.1 mt -122.68 -54.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.26 -31.69 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.587 ' OD1' ' CD1' ' A' ' 120' ' ' TRP . 3.4 m-80 -75.9 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.8 m170 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.479 HG21 ' HG2' ' A' ' 33' ' ' ARG . 48.3 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.8 0.333 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -38.19 -56.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -52.25 -40.29 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' ILE . 32.4 tp -69.02 -44.1 73.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 33' ' ' ARG . 84.1 mt -50.32 -45.23 54.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.4 -47.91 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.0 t80 -60.14 -57.98 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.566 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 13.7 mtp -44.25 -40.28 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -52.78 -38.48 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.66 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 16.4 mt -65.64 138.94 96.89 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.553 0.692 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.0 4.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.9 -20.02 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 4.5 m-85 -99.64 -36.56 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.88 -30.67 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -41.57 -35.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.89 164.09 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 t -79.73 156.49 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' SER . 4.1 mmt -38.03 -54.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' MET . 53.0 m -35.66 -64.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 54.2 t -46.71 -54.09 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' LEU . 73.1 mtt180 -48.16 -72.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HA ' HD21 ' A' ' 15' ' ' LEU . 1.2 tmt_? -38.38 -47.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.55 -43.48 84.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.937 HD22 HD13 ' A' ' 114' ' ' ILE . 12.1 mt -61.6 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.63 -18.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -71.63 -33.2 68.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 118' ' ' ASP . 18.4 m -120.9 24.16 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.43 ' HE1' ' HE3' ' A' ' 18' ' ' MET . 5.1 mtt -82.6 127.91 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 112' ' ' VAL . 87.7 mt -93.65 146.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.14 122.28 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -139.44 149.94 44.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.0 t -149.27 126.81 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.29 124.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.4 -43.72 10.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -87.28 120.34 28.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 173.19 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.39 11.36 20.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 140.38 45.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.72 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -77.51 129.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.129 HD11 HG23 ' A' ' 104' ' ' THR . 2.7 mm -96.41 -38.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.4 mt -151.27 128.42 11.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.96 153.43 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.95 135.02 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.86 31.78 38.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.41 113.16 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.59 101.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.638 ' HB2' HG22 ' A' ' 89' ' ' ILE . 3.8 mt -75.14 130.67 39.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 14.21 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.7 m -147.6 139.56 24.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.481 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 26.1 t90 -85.62 137.27 32.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 28.5 m-85 -113.73 149.72 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 94.3 t -147.84 116.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 85' ' ' ASN . 17.4 mt -57.19 116.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 ' HB ' ' A' ' 112' ' ' VAL . 93.0 mt -97.19 -28.37 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -166.14 144.95 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.76 -158.29 23.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 81' ' ' LEU . 88.1 m -141.45 140.35 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -123.07 131.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -104.23 131.4 51.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.735 ' O ' HG13 ' A' ' 78' ' ' VAL . 62.6 mt -108.24 143.39 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -129.64 140.66 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -113.21 149.88 42.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.37 34.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.84 -41.71 20.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.73 32.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -125.49 148.79 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 71' ' ' ILE . 38.3 t -136.88 107.01 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.3 165.19 24.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -138.74 115.18 10.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 71' ' ' ILE . 14.8 mt -113.23 154.29 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -137.53 171.34 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.1 ttt -42.71 114.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.418 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 123.04 -35.2 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.488 ' HB2' HD12 ' A' ' 64' ' ' ILE . 7.0 m120 -61.29 174.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.3 p -144.7 138.18 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -146.44 162.68 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.92 -118.2 2.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 58' ' ' LEU . 9.9 pt -113.11 172.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -93.36 156.86 39.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.1 Cg_endo -69.75 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.355 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.7 p -98.22 135.34 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.492 HD21 ' CE3' ' A' ' 120' ' ' TRP . 35.8 mt -40.14 -34.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.502 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 34.5 m-20 -46.19 146.92 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -103.45 156.25 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 2.7 mp0 -138.29 173.15 11.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -130.58 131.49 45.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.4 tpt -49.31 104.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -82.35 40.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.11 38.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.1 mt -125.04 133.2 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.3 t -107.87 136.25 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -142.49 130.96 22.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.129 HG23 HD11 ' A' ' 51' ' ' ILE . 36.8 p -57.77 161.38 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.15 -26.18 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.51 176.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -94.51 173.54 7.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.34 28.4 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 17.7 m -76.82 131.26 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.2 140.67 37.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.8 m-85 -146.27 155.99 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' A' ' 65' ' ' LEU . 13.4 p -125.71 149.82 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.501 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 3.3 m -128.44 137.56 51.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.937 HD13 HD22 ' A' ' 35' ' ' LEU . 42.4 mt -135.39 120.12 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.6 147.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -59.03 -57.53 12.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -46.12 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.592 ' HB3' HG21 ' A' ' 38' ' ' VAL . 60.7 m-20 -54.74 -35.83 64.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 14.2 t80 -68.83 -19.7 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.564 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 21.3 t90 -110.52 0.42 17.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -103.06 1.54 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 57.0 mt -115.86 -56.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.15 -49.22 72.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.564 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 11.7 m-80 -63.66 177.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.9 m80 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.807 0.337 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.41 -40.34 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -73.64 -38.18 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.2 mt -67.48 -62.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HB3' ' HE1' ' A' ' 29' ' ' MET . 70.2 mt -34.36 -61.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.723 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 8.4 t80 -65.14 -61.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.51 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 16.2 mtp -41.25 -30.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.469 ' CG ' HH12 ' A' ' 32' ' ' ARG . 18.5 t-80 -63.88 -43.52 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -58.12 -42.22 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.723 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 7.3 mt -72.63 138.91 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -46.3 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -35.29 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 7.0 m-85 -84.43 -20.21 32.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.82 -28.26 40.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -47.43 -40.92 19.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.96 -177.25 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.821 HG22 HG23 ' A' ' 31' ' ' VAL . 6.0 t -94.69 145.37 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.508 ' HE1' ' HB3' ' A' ' 15' ' ' LEU . 11.2 tpt -36.73 -43.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -53.33 -57.78 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.821 HG23 HG22 ' A' ' 28' ' ' THR . 93.8 t -48.35 -41.73 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.483 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 84.0 mtt180 -48.6 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -39.9 -53.26 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' HB2' HG21 ' A' ' 122' ' ' ILE . 63.2 mm-40 -47.61 -40.19 18.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.785 HD22 HD13 ' A' ' 114' ' ' ILE . 22.8 mt -67.9 -47.14 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -49.5 -26.33 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -74.73 -32.96 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.64 17.13 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' HD11 ' A' ' 114' ' ' ILE . 9.0 mtt -81.38 129.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 112' ' ' VAL . 51.0 mt -94.56 143.74 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -99.26 120.36 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -142.07 137.43 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -139.26 137.15 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.476 HG11 ' HB3' ' A' ' 49' ' ' ALA . 52.6 t -102.81 123.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.87 -42.17 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.32 125.39 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 170.38 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.403 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 60.45 12.54 26.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -67.11 138.38 57.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.301 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -78.37 119.21 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 104' ' ' THR . 1.9 mm -84.85 -42.14 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.7 mt -148.16 128.09 13.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.49 146.66 23.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 8.9 p-10 -59.0 106.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.42 23.35 6.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' LEU . 63.4 tt0 -99.26 105.82 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -44.46 95.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 88' ' ' GLY . 3.3 mt -68.65 119.78 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.66 -5.21 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 m -127.89 143.31 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -87.17 125.43 34.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.61 134.93 49.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.37 127.28 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mt -62.92 112.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.1 mt -89.52 -43.83 10.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -154.09 130.09 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.43 -166.79 12.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.3 m -128.83 148.24 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.09 138.04 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -111.44 141.15 45.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.446 HD11 ' CD1' ' A' ' 81' ' ' LEU . 37.2 mt -115.77 134.29 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -120.65 140.5 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -110.81 151.21 42.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -16.76 37.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.69 -46.36 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 32.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -128.55 151.04 49.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 71' ' ' ILE . 39.0 t -137.16 117.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -88.02 170.34 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.68 112.28 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.99 HD22 ' CG ' ' A' ' 85' ' ' ASN . 19.4 mt -111.77 153.13 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -133.0 170.97 14.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 21.1 ttt -41.48 113.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.48 -34.06 2.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.99 ' CG ' HD22 ' A' ' 81' ' ' LEU . 3.1 t30 -63.91 175.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.594 ' H ' ' ND2' ' A' ' 85' ' ' ASN . 85.5 p -147.41 145.14 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -162.14 149.66 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.617 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 145.94 -87.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG22 ' HB2' ' A' ' 58' ' ' LEU . 6.8 pt -140.67 164.67 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 59.9 p -86.67 151.84 53.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.77 2.77 3.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' ASP . 12.3 p -99.72 138.3 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 11.0 mt -36.97 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.1 m-20 -53.48 143.31 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 32.6 mtpt -94.29 -175.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.541 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -169.9 160.93 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -121.89 153.76 38.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -72.15 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.407 ' N ' ' SD ' ' A' ' 98' ' ' MET . 4.5 m-70 -95.83 46.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 166.75 -159.16 32.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -135.16 118.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.0 t -93.47 141.19 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.403 HH21 ' CA ' ' A' ' 48' ' ' GLY . 9.4 mtp180 -149.8 135.22 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.872 HG23 HD11 ' A' ' 51' ' ' ILE . 18.1 p -64.53 161.4 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -112.43 -13.37 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.48 -179.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.23 162.36 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t70 64.87 48.16 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.0 m -95.62 132.7 40.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -97.55 140.51 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 94.8 m-85 -144.02 162.15 36.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.8 p -134.45 142.83 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.89 129.57 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.785 HD13 HD22 ' A' ' 35' ' ' LEU . 53.2 mt -126.25 120.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.55 145.59 6.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -55.1 -65.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -38.06 -68.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -49.97 -32.97 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.6 t80 -71.1 -34.74 71.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.541 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 23.2 t90 -95.32 -0.69 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -99.3 -2.83 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.754 HG22 HG13 ' A' ' 31' ' ' VAL . 76.5 mt -111.54 -50.55 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -69.53 -25.02 63.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 120' ' ' TRP . 2.6 m-80 -91.9 -175.34 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 m170 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.443 HD13 ' SG ' ' A' ' 36' ' ' CYS . 5.4 mm . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.781 0.324 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.29 -41.5 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -18.01 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 7.6 tp -93.72 -40.72 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.471 HD22 ' SD ' ' A' ' 29' ' ' MET . 19.2 mt -60.21 -55.3 35.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -42.35 -36.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.5 t80 -69.83 -52.12 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.481 ' HE2' ' HB3' ' A' ' 32' ' ' ARG . 53.5 mtp -51.88 -28.54 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.2 -29.2 68.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -69.54 -45.57 68.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 35.5 mt -70.89 140.27 86.1 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 -39.28 6.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -21.04 63.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CZ ' ' HE1' ' A' ' 39' ' ' MET . 9.2 m-85 -102.42 -40.13 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.65 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -49.03 -33.59 11.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.18 166.9 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -74.73 178.73 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.189 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.471 ' SD ' HD22 ' A' ' 15' ' ' LEU . 6.5 tpp -64.0 -54.29 36.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -38.53 -59.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 t -50.14 -45.09 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 71.8 mtt180 -57.77 -63.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -51.6 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.415 ' OE1' ' CA ' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -54.26 -49.87 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 114' ' ' ILE . 20.2 mt -51.02 -49.73 59.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 9.3 t -47.19 -24.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -68.38 -39.33 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.519 HG23 HG23 ' A' ' 114' ' ' ILE . 32.1 m -110.92 23.47 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.565 ' HE1' ' CZ ' ' A' ' 24' ' ' PHE . 9.6 mtt -87.55 121.16 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 40' ' ' ILE . 4.9 mm -89.64 148.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -108.87 109.8 20.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -140.89 137.71 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.83 140.43 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' HB3' ' A' ' 49' ' ' ALA . 85.3 t -97.31 122.63 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.42 -39.2 19.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -90.21 119.09 30.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.11 170.28 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.32 49.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.668 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -76.31 144.9 39.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.6 mp -82.49 123.44 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 104' ' ' THR . 3.4 mm -92.32 -40.35 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.2 mt -146.3 151.9 38.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -111.31 143.86 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 2.8 p-10 -64.18 110.03 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.29 7.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -104.11 119.39 38.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.74 100.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.568 ' HB2' HG22 ' A' ' 89' ' ' ILE . 3.9 mt -72.49 123.33 22.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -132.54 20.11 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -153.3 134.47 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.531 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 23.7 t90 -81.08 134.06 35.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.45 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 36.1 m-85 -112.66 143.52 43.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 87.7 t -140.21 118.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -58.31 113.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -89.25 -42.58 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -155.53 133.81 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.3 -178.93 24.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 81' ' ' LEU . 94.4 m -120.43 133.02 55.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 111' ' ' PHE . 27.9 m -113.81 139.07 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.93 136.77 52.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 78' ' ' VAL . 25.0 mt -115.26 142.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.7 m -128.63 136.42 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -106.99 152.03 40.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.11 37.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.95 -46.81 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.58 32.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.459 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -125.16 150.8 46.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 71' ' ' ILE . 61.8 t -135.99 110.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -87.71 142.04 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.64 115.42 23.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 16.1 mt -109.8 155.95 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.46 167.5 20.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.9 ttt -41.72 118.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 120.34 -32.11 5.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -66.76 167.43 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -133.51 149.41 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 5.9 p90 -162.41 154.65 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.408 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 138.19 -102.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.568 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.3 pt -127.97 177.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.8 p -95.69 152.37 39.08 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.1 Cg_endo -69.76 2.4 3.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 48.9 p -96.08 152.03 18.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.528 HD21 ' CE3' ' A' ' 120' ' ' TRP . 8.5 mt -51.44 -21.83 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.447 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 6.1 t70 -58.74 162.81 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -116.93 -175.66 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.3 159.96 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.96 147.0 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.78 120.85 13.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.82 40.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 167.85 -163.0 36.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.75 129.52 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.437 HG22 HG12 ' A' ' 71' ' ' ILE . 11.6 t -101.78 142.47 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -151.99 130.87 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.872 HG23 HD11 ' A' ' 51' ' ' ILE . 67.7 p -59.6 156.2 13.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -103.54 -25.37 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.04 177.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 178.69 6.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 50.75 45.63 26.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.8 m -94.76 119.34 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -95.07 143.06 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 90.0 m-85 -144.12 151.85 40.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 10.6 p -121.06 147.19 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.438 ' C ' HG13 ' A' ' 114' ' ' ILE . 98.6 m -124.23 149.38 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.747 HD13 HD22 ' A' ' 35' ' ' LEU . 62.3 mt -146.42 124.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.49 145.86 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -65.21 -64.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -41.6 -34.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 20.1 m-20 -87.84 -28.6 21.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.531 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 16.7 t80 -74.16 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.536 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 23.8 t90 -109.52 -11.23 14.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.469 ' NE ' ' HA ' ' A' ' 118' ' ' ASP . 2.9 ptp180 -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.76 -62.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.77 -64.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.536 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.1 m-80 -54.34 -175.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.1 m170 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 mm . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.758 0.313 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -65.85 -39.42 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -33.53 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' SG ' ' A' ' 36' ' ' CYS . 14.0 tp -73.95 -42.44 60.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.7 mt -59.58 -64.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 5.5 pt-20 -36.09 -37.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -73.33 -55.32 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.5 mtp -46.23 -44.61 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -54.27 -34.01 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -63.46 -48.2 78.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 23.4 mt -67.75 143.05 96.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -42.89 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.27 -36.43 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.08 -40.03 11.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.54 -33.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -54.19 -48.71 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 167.97 13.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 HG23 ' A' ' 31' ' ' VAL . 8.4 t -92.41 149.98 21.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -34.2 -60.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.7 m -41.25 -64.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 28' ' ' THR . 42.8 t -40.83 -58.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' VAL . 54.8 mtt180 -36.96 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.58 -54.46 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -49.23 -51.13 35.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.687 HD22 HD13 ' A' ' 114' ' ' ILE . 10.2 mt -50.67 -50.15 55.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' SG ' HD23 ' A' ' 14' ' ' LEU . 50.8 t -50.35 -28.23 7.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.8 t -68.11 -30.08 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 118' ' ' ASP . 27.9 m -120.84 25.26 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.471 ' SD ' HG21 ' A' ' 112' ' ' VAL . 7.5 mtt -89.55 153.84 20.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.672 HD12 ' HB2' ' A' ' 113' ' ' CYS . 62.8 mt -114.61 145.55 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.08 115.98 31.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -137.85 139.07 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 110' ' ' GLN . 49.4 t -137.69 125.44 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 49' ' ' ALA . 60.4 t -91.2 123.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -94.72 -44.05 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -83.3 104.8 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.13 166.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.408 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 62.31 18.41 58.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.447 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -76.68 140.85 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.723 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.6 mp -75.96 122.17 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 104' ' ' THR . 4.5 mm -86.47 -37.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 48.7 mt -153.76 146.7 24.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -99.86 149.36 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.444 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 1.2 p-10 -70.35 121.39 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.1 41.64 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -125.79 108.57 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 39.2 tt0 -38.49 109.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.3 mt -80.31 121.19 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -128.71 31.11 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.8 p -166.5 136.53 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.421 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 24.8 t90 -85.89 141.71 29.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.3 m-85 -119.13 142.45 47.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.421 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 95.4 t -137.67 129.31 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.7 mt -69.56 116.82 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 112' ' ' VAL . 23.6 mt -98.84 -33.91 10.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -161.82 132.89 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.84 -178.0 25.73 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -122.35 133.35 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.145 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.39 146.73 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -117.25 136.65 52.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.702 ' O ' HG13 ' A' ' 78' ' ' VAL . 44.6 mt -119.5 137.81 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -129.18 136.9 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -107.02 152.47 41.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.806 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.54 37.48 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -44.41 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.79 33.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -127.69 150.03 49.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 71' ' ' ILE . 60.1 t -136.73 118.61 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.87 166.69 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.5 113.36 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 85' ' ' ASN . 7.4 mt -110.08 156.53 20.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' MET . 55.3 m-85 -138.11 163.86 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 ttt -35.03 120.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.406 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . 117.25 -43.0 1.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.451 ' HB3' HD22 ' A' ' 81' ' ' LEU . 10.0 m120 -52.49 179.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.2 p -151.79 148.21 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 42.5 p90 -153.36 157.3 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.76 -111.88 1.07 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.7 pt -117.0 -175.76 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.481 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -105.02 157.96 33.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ASP . 19.4 p -105.01 137.95 41.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.515 HD21 ' CE3' ' A' ' 120' ' ' TRP . 92.7 mt -36.42 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.497 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 77.5 m-20 -40.86 147.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -110.18 142.71 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 1.4 mp0 -134.11 150.56 51.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 3.1 m-85 -117.72 147.31 43.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 tpt -71.19 140.73 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -121.66 21.15 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -158.47 -161.92 11.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.408 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 95.9 mt -130.67 130.7 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.7 t -104.91 142.02 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.408 HH21 ' CA ' ' A' ' 48' ' ' GLY . 8.2 mtp180 -153.47 132.87 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.0 HG23 HD11 ' A' ' 51' ' ' ILE . 28.8 p -64.61 151.45 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -100.01 -19.13 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.84 -178.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.1 163.73 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 63.77 47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.1 m -94.68 145.32 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 43' ' ' VAL . 77.4 mt-30 -112.34 140.3 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -147.97 153.34 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.5 p -123.52 144.53 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.672 ' HB2' HD12 ' A' ' 40' ' ' ILE . 80.5 m -122.84 136.44 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.687 HD13 HD22 ' A' ' 35' ' ' LEU . 50.6 mt -133.99 125.38 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.35 142.23 32.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 92' ' ' THR . 2.6 tp60 -52.73 -66.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -38.74 -58.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.531 ' HB3' HG21 ' A' ' 38' ' ' VAL . 67.2 m-20 -59.12 -38.67 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.4 t80 -63.7 -21.91 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.625 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 14.5 t90 -107.29 -0.24 22.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -97.58 -0.3 46.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 60.8 mt -116.96 -62.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.37 -39.09 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.625 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.6 m-80 -72.82 175.55 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.4 m170 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.94 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.777 0.322 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.73 -60.03 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.97 -37.64 53.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.62 -45.93 77.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.55 HD11 ' CG ' ' A' ' 33' ' ' ARG . 84.5 mt -50.31 -53.32 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -38.76 -45.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.8 t80 -67.11 -44.91 78.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' PHE . 19.1 mmm -53.49 -14.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -86.21 -39.53 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.97 -7.27 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.85 HD22 ' HA2' ' A' ' 84' ' ' GLY . 30.3 mt -104.15 138.21 19.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.67 0.748 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.57 3.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.721 ' HD2' HD12 ' A' ' 21' ' ' LEU . 13.8 m-85 -95.53 -30.95 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.18 -39.29 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -38.43 -43.96 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.79 157.32 16.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 29' ' ' MET . 1.6 t -51.91 175.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' ' 29' ' ' MET . 2.3 ppp? -79.36 -16.81 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -68.47 -43.79 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 t -61.05 -23.0 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 29' ' ' MET . 86.3 mtt180 -69.15 -67.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.55 ' CG ' HD11 ' A' ' 15' ' ' LEU . 57.3 mtm180 -38.24 -53.85 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.64 -50.84 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.756 HD22 HD13 ' A' ' 114' ' ' ILE . 38.6 mt -56.84 -48.44 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 m -49.94 -21.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t -92.54 -25.5 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.754 HG22 ' HA ' ' A' ' 35' ' ' LEU . 10.2 m -109.42 8.57 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.504 ' HE2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -107.57 130.22 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.5 mp -88.72 137.75 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.33 122.22 33.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -143.29 155.79 44.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 109' ' ' CYS . 3.6 p -153.64 131.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 49' ' ' ALA . 94.9 t -91.52 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.79 -40.88 15.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -86.0 120.7 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 177.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.16 18.7 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -75.42 140.49 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.732 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.8 mp -78.56 124.72 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.885 HD11 HG23 ' A' ' 104' ' ' THR . 2.5 mm -93.56 -37.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.423 HD13 HD21 ' A' ' 58' ' ' LEU . 24.9 mt -151.55 152.66 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -113.64 159.79 19.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -72.03 125.22 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.82 29.12 12.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -110.35 119.51 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.02 94.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 88' ' ' GLY . 8.7 mt -65.5 126.87 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.74 8.12 4.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.548 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 4.9 m -140.9 124.73 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.3 t90 -76.1 127.71 33.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 60' ' ' SER . 16.0 m-85 -105.31 146.15 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 24' ' ' PHE . 70.4 t -138.01 126.62 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 85' ' ' ASN . 37.6 mt -67.94 111.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.487 HD11 ' HB ' ' A' ' 112' ' ' VAL . 76.5 mt -94.41 -30.68 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -163.08 140.04 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.9 -173.29 30.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.2 m -127.29 138.49 53.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -122.29 133.38 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -107.59 132.35 53.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 78' ' ' VAL . 31.3 mt -109.32 129.65 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -111.7 143.31 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -116.02 144.32 32.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.44 37.06 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -74.92 -47.92 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.18 33.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -131.77 157.24 44.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 71' ' ' ILE . 23.0 t -144.59 111.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.78 114.3 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 68' ' ' THR . 15.9 mt -108.04 153.97 22.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -130.04 165.99 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.0 ttt -38.65 120.56 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.85 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 117.91 -40.94 2.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.423 ' HB2' HD12 ' A' ' 64' ' ' ILE . 6.5 m120 -59.98 160.68 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.7 p -127.59 160.22 32.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -170.26 159.48 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.86 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 134.77 -81.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.553 HG23 ' HB3' ' A' ' 58' ' ' LEU . 5.1 pt -142.35 -178.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.1 p -101.12 152.58 37.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.78 3.38 2.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.496 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 12.3 p -99.16 137.58 37.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.524 HD21 ' CE3' ' A' ' 120' ' ' TRP . 39.9 mt -36.82 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.0 t70 -52.24 163.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 21.6 mttt -113.95 162.41 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.457 ' CD ' ' C ' ' A' ' 95' ' ' LYS . 3.6 mp0 -136.16 147.79 47.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -112.68 133.65 54.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.5 tpt -65.41 124.25 21.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -109.93 38.43 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 179.07 -161.46 27.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.7 mt -130.42 127.33 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.508 HG12 ' CG1' ' A' ' 51' ' ' ILE . 40.7 t -98.62 132.58 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -146.76 130.93 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.885 HG23 HD11 ' A' ' 51' ' ' ILE . 49.0 p -61.17 162.67 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -108.59 -28.15 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.45 178.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 176.01 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 60.21 26.8 16.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 43' ' ' VAL . 33.0 m -78.4 128.06 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' ' 111' ' ' PHE . 39.4 mt-30 -103.21 155.27 18.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 110' ' ' GLN . 74.4 m-85 -156.94 166.73 32.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.487 ' HB ' HD11 ' A' ' 65' ' ' LEU . 3.5 p -138.78 142.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.51 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.7 m -115.13 143.63 44.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.756 HD13 HD22 ' A' ' 35' ' ' LEU . 76.9 mt -143.76 124.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.17 142.74 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 92' ' ' THR . 26.3 tp60 -52.53 -59.74 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -51.12 -56.02 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -23.01 52.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.8 t80 -82.4 -28.77 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.603 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 25.5 t90 -100.39 1.11 41.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -97.1 -5.42 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 66.2 mt -112.32 -56.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.84 -32.85 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.603 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 5.4 m-80 -87.92 -174.99 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.792 0.329 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -45.79 -48.93 15.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.38 -46.46 88.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.8 -57.91 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.523 HD22 ' CE ' ' A' ' 29' ' ' MET . 95.8 mt -42.16 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -39.69 -28.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.747 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -89.4 -36.01 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' LEU . 16.7 mtp -62.11 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -43.54 -40.35 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.57 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 6.5 mm-40 -51.7 -46.45 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.758 HD22 ' HA2' ' A' ' 84' ' ' GLY . 14.7 mt -76.55 143.52 72.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.99 15.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.03 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.37 -41.56 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.7 -32.31 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -49.2 -42.78 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.509 ' HB3' HG11 ' A' ' 31' ' ' VAL . 3.4 mtt -81.85 160.52 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' MET . 15.2 t -88.08 160.55 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.603 ' HE3' ' HD2' ' A' ' 32' ' ' ARG . 5.8 tpt -34.36 -68.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' MET . 65.6 m -36.49 -68.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 122' ' ' ILE . 59.2 t -40.61 -56.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.603 ' HD2' ' HE3' ' A' ' 29' ' ' MET . 90.4 mtt180 -42.56 -52.54 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 ttt-85 -61.98 -57.97 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -40.1 -42.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.612 HD22 HD13 ' A' ' 114' ' ' ILE . 10.5 mt -64.5 -45.68 86.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.3 -27.19 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -68.72 -35.3 76.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.662 HG11 ' OD2' ' A' ' 118' ' ' ASP . 22.5 m -112.46 21.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE2' HD11 ' A' ' 114' ' ' ILE . 7.2 mtt -88.47 110.79 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -82.55 145.5 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -98.09 123.39 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -142.11 136.74 30.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.8 t -140.04 147.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.498 HG11 ' HB3' ' A' ' 49' ' ' ALA . 44.2 t -112.5 127.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -94.63 -42.29 8.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 42.8 mt-30 -83.85 108.77 17.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.84 178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.16 18.65 2.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -75.5 142.86 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.702 ' N ' HD12 ' A' ' 50' ' ' ILE . 2.3 mp -80.28 119.45 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 HG23 ' A' ' 104' ' ' THR . 4.8 mm -86.89 -38.51 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.443 HD13 HD21 ' A' ' 58' ' ' LEU . 28.2 mt -152.64 133.31 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -89.91 155.36 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 128.23 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 18.52 58.29 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -88.71 115.72 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.48 88.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 89' ' ' ILE . 19.1 mt -55.18 118.68 4.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.524 ' O ' HD13 ' A' ' 89' ' ' ILE . 10.2 t70 -118.83 -22.56 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.404 ' C ' HG12 ' A' ' 89' ' ' ILE . 15.8 m -116.74 148.56 41.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -90.06 133.22 34.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 54.4 m-85 -116.67 132.41 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.421 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 84.7 t -129.49 117.76 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.4 mt -54.0 104.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.748 HD11 ' HB ' ' A' ' 112' ' ' VAL . 68.8 mt -82.8 -35.38 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -164.22 141.43 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.47 -166.86 19.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.0 m -133.14 138.08 46.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.94 134.92 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -105.41 133.76 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.696 ' O ' HG13 ' A' ' 78' ' ' VAL . 84.2 mt -111.13 135.94 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -121.55 132.36 54.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -102.54 147.69 34.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.14 36.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -76.9 -45.36 28.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.27 32.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -129.51 145.35 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 71' ' ' ILE . 46.5 t -127.4 125.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.47 136.75 40.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.91 116.41 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -106.64 165.38 11.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -146.32 167.2 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.1 ttt -44.07 115.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.758 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 126.05 -32.78 3.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.45 174.8 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 p -146.61 139.6 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.49 148.95 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.57 -127.27 3.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 59' ' ' ASP . 11.2 pt -94.55 179.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 160.6 27.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.48 3.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.5 p -101.98 138.2 39.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.675 HD21 ' CE3' ' A' ' 120' ' ' TRP . 14.7 mt -42.92 -26.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.41 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 83.5 m-20 -51.34 157.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -101.84 173.8 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.514 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 2.1 mp0 -148.52 165.44 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -135.78 129.77 33.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.1 tpt -59.33 113.61 2.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.24 35.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.37 -174.93 43.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.0 mt -112.68 135.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 71' ' ' ILE . 24.1 t -108.18 137.08 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -147.35 131.06 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.021 HG23 HD11 ' A' ' 51' ' ' ILE . 66.0 p -60.46 163.2 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -111.2 -23.8 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.6 m -140.57 178.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -93.28 179.64 5.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.3 27.79 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 4.5 m -78.42 123.21 26.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -96.38 147.35 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.4 m-85 -150.71 139.7 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.748 ' HB ' HD11 ' A' ' 65' ' ' LEU . 12.4 p -108.53 145.22 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -123.32 145.5 48.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 35' ' ' LEU . 64.6 mt -146.85 121.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.62 147.92 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -60.21 -60.48 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 116' ' ' GLN . 11.4 mm-40 -35.66 -62.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.662 ' OD2' HG11 ' A' ' 38' ' ' VAL . 6.1 m-20 -57.2 -36.52 70.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 6.1 t80 -68.06 -12.19 60.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.675 ' CE3' HD21 ' A' ' 93' ' ' LEU . 44.4 t90 -117.22 0.52 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -107.54 -6.42 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.698 HG22 HG13 ' A' ' 31' ' ' VAL . 88.7 mt -106.79 -55.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.57 -51.41 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.459 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.4 m-80 -60.01 -176.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.9 t60 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.969 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 31.6 mt . . . . . 0 N--CA 1.458 -0.051 0 CA-C-O 120.813 0.339 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -42.6 -40.62 2.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.34 -36.24 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' LEU . 3.0 mt -72.04 -59.47 2.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 29' ' ' MET . 1.0 OUTLIER -34.11 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.78 -53.76 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.796 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -59.78 -41.0 90.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtp -58.84 -31.19 68.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -69.59 -17.95 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -80.86 -28.11 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.796 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 8.9 mt -90.62 141.87 27.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -37.39 9.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.16 72.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.415 ' CE2' HG11 ' A' ' 63' ' ' VAL . 21.6 m-85 -92.79 -15.47 26.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.15 -27.85 48.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.86 -47.81 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 171.59 9.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -86.69 -179.74 6.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.788 ' HG3' HD12 ' A' ' 15' ' ' LEU . 2.1 ttt -63.97 -48.17 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -42.37 -56.2 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 122' ' ' ILE . 30.8 t -57.3 -51.73 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.49 ' HA ' HD12 ' A' ' 35' ' ' LEU . 55.1 mtt180 -45.27 -63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HG3' HD11 ' A' ' 15' ' ' LEU . 38.2 mtt180 -48.52 -51.29 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.06 -49.11 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.674 HD22 HD13 ' A' ' 114' ' ' ILE . 28.6 mt -50.09 -48.22 53.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.31 -23.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 p -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.18 23.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.4 mtt -80.65 116.77 20.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 113' ' ' CYS . 4.4 mp -83.86 148.89 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -105.51 117.19 33.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -141.38 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 110' ' ' GLN . 84.9 t -144.73 142.69 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.41 126.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.31 -42.36 9.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -80.54 112.29 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 164.48 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.51 21.31 62.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.24 143.26 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.718 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -76.62 131.96 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.777 HD11 HG23 ' A' ' 104' ' ' THR . 3.4 mm -101.89 -36.78 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.6 mt -151.17 133.94 15.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -93.97 157.49 16.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.63 133.13 51.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.63 29.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -107.4 124.5 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -67.02 87.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.797 HD13 ' O ' ' A' ' 88' ' ' GLY . 4.9 mt -62.0 128.15 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -128.22 2.71 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -137.61 142.7 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -87.61 118.64 27.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.594 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 22.3 m-85 -99.17 132.93 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.469 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 79.8 t -129.76 120.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.55 111.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 65' ' ' LEU . 10.8 mt -89.23 -39.24 13.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -159.8 137.94 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.51 -170.46 20.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 81' ' ' LEU . 18.1 m -131.12 139.01 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 m -124.05 136.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -104.21 140.48 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 78' ' ' VAL . 26.8 mt -116.69 136.96 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 t -121.89 141.8 50.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -114.17 147.02 36.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.69 37.07 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.362 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -79.27 -40.52 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.08 35.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -132.73 147.58 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 71' ' ' ILE . 40.5 t -129.5 115.35 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.19 119.64 34.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -100.81 119.07 38.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 68' ' ' THR . 25.2 mt -105.28 166.17 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -142.75 168.58 19.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.0 ttt -44.45 117.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.38 -36.21 3.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.37 166.03 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 p -135.46 160.57 38.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -170.76 152.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.797 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 142.28 -102.35 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.483 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.603 HG22 ' HB2' ' A' ' 58' ' ' LEU . 18.0 pt -124.08 -174.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -108.17 160.98 24.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.415 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.84 3.1 3.01 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.4 p -100.14 150.43 22.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.788 HD21 ' CE3' ' A' ' 120' ' ' TRP . 76.1 mt -58.94 -12.4 4.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -65.84 141.22 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -90.38 163.98 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.417 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -145.81 158.81 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -123.19 131.49 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.1 tpt -56.63 132.58 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -107.56 33.52 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.02 -171.55 44.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.6 mt -117.5 137.83 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.4 t -112.99 132.72 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -143.25 130.9 21.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.777 HG23 HD11 ' A' ' 51' ' ' ILE . 6.9 p -56.66 162.95 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -118.04 -9.81 10.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.428 HG23 ' SG ' ' A' ' 109' ' ' CYS . 33.6 m -149.57 173.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.35 163.25 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 64.38 43.29 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 77.7 m -91.95 123.21 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.442 ' HG2' HG22 ' A' ' 43' ' ' VAL . 59.5 mt-30 -95.15 138.72 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 71.5 m-85 -141.51 154.07 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.469 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 14.7 p -123.95 145.91 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 14.1 m -124.9 146.44 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.674 HD13 HD22 ' A' ' 35' ' ' LEU . 55.0 mt -144.82 120.35 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.88 140.18 15.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.537 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 4.3 pt20 -61.5 -38.28 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.475 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 1.4 mp0 -53.43 -52.27 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.78 -32.6 63.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.0 t80 -64.96 -10.33 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.788 ' CE3' HD21 ' A' ' 93' ' ' LEU . 20.4 t90 -114.48 -2.23 13.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.2 ttp85 -99.73 -19.67 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.653 HG22 HG22 ' A' ' 31' ' ' VAL . 63.7 mt -89.49 -64.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.3 -60.83 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.471 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 14.1 m-80 -57.97 179.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.737 0.303 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -44.38 -37.59 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD13 ' SG ' ' A' ' 36' ' ' CYS . 4.7 mt -64.06 -61.01 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -34.07 -59.34 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.68 -44.3 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.908 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.8 t80 -71.59 -41.48 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.408 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 12.9 mtp -62.16 -12.42 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -85.31 -38.7 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.69 -6.22 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.908 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 42.4 mt -105.69 135.16 19.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -41.72 4.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -30.78 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 16.5 m-85 -95.89 -49.52 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.48 -45.57 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.54 155.12 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 t -65.94 -179.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.456 ' HG3' HD12 ' A' ' 15' ' ' LEU . 3.4 ttt -61.36 -58.79 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' MET . 18.9 t -35.19 -68.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 93.5 t -37.05 -42.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 35' ' ' LEU . 50.8 mtt180 -64.5 -57.34 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -46.26 -44.67 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 10.5 mt-10 -62.98 -41.87 99.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.65 HD22 HD13 ' A' ' 114' ' ' ILE . 22.8 mt -60.26 -51.94 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.59 ' SG ' HD13 ' A' ' 14' ' ' LEU . 2.0 t -45.0 -22.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.9 t -70.74 -39.55 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' CB ' ' A' ' 118' ' ' ASP . 16.9 m -117.1 22.22 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.963 ' SD ' HD11 ' A' ' 114' ' ' ILE . 4.4 mmm -85.13 107.76 17.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.813 ' O ' HG23 ' A' ' 112' ' ' VAL . 27.9 mt -83.59 146.38 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HZ ' HD21 ' A' ' 14' ' ' LEU . 12.6 m-85 -103.92 132.85 49.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -154.08 139.41 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 109' ' ' CYS . 3.0 p -143.1 127.77 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.584 HG11 ' HB3' ' A' ' 49' ' ' ALA . 80.7 t -88.14 125.65 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.95 -43.35 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -86.23 120.01 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 176.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.93 19.46 10.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.584 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -79.41 140.52 37.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.744 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.5 mp -78.53 118.23 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.945 HD11 HG23 ' A' ' 104' ' ' THR . 6.4 mm -82.12 -41.67 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.771 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 13.4 mt -149.6 142.95 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -102.19 143.36 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -62.2 140.34 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 29.1 39.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -117.6 120.63 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -55.49 91.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 88' ' ' GLY . 10.4 mt -61.77 110.49 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -117.65 26.52 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 3.6 m -162.64 125.47 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.589 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 19.2 t90 -79.57 131.81 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.771 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 10.8 m-85 -106.91 153.34 22.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.589 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 97.7 t -144.42 127.04 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 85' ' ' ASN . 38.9 mt -61.72 117.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -96.19 -36.55 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -163.04 132.93 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.93 -170.69 20.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.6 m -125.91 140.25 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.23 134.86 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -106.8 129.43 54.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.56 ' O ' HG13 ' A' ' 78' ' ' VAL . 74.8 mt -106.39 137.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 m -120.24 130.85 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -106.54 146.22 32.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.33 35.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -75.87 -40.55 54.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.95 30.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -123.61 149.79 44.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 71' ' ' ILE . 59.8 t -136.79 109.04 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -89.12 133.37 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.96 108.42 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.443 ' CB ' HD11 ' A' ' 64' ' ' ILE . 16.3 mt -99.67 154.31 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.66 172.19 12.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -44.66 118.38 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.45 -33.14 5.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.559 ' HB2' HD12 ' A' ' 64' ' ' ILE . 10.0 m120 -62.82 178.33 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 p -144.94 156.09 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -168.9 147.87 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.552 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 146.24 -79.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -153.39 167.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 160.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.4 p -89.79 150.7 22.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.587 HD21 ' CE3' ' A' ' 120' ' ' TRP . 11.2 mt -66.81 -20.55 65.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.22 130.65 42.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 152.89 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -143.09 138.2 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -108.03 137.16 46.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -60.02 105.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -85.58 33.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.49 47.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.5 mt -120.24 130.98 73.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.36 140.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -152.05 131.06 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.945 HG23 HD11 ' A' ' 51' ' ' ILE . 18.5 p -59.83 163.19 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -111.31 -22.89 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.8 m -138.85 -178.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -96.51 170.24 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 61.93 28.47 17.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 6.3 m -79.64 129.73 34.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 111' ' ' PHE . 40.2 mt-30 -102.65 155.27 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.5 m-85 -157.24 169.47 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 40' ' ' ILE . 8.0 p -138.52 146.84 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.2 m -118.96 145.24 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.963 HD11 ' SD ' ' A' ' 39' ' ' MET . 55.5 mt -144.86 120.5 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' A' ' 118' ' ' ASP . . . -49.69 147.94 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -66.33 -49.0 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -51.28 -40.93 60.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.484 ' CB ' HG21 ' A' ' 38' ' ' VAL . 10.4 m-20 -76.3 -31.8 58.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 9.1 t80 -68.59 -9.43 49.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.956 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.587 ' CE3' HD21 ' A' ' 93' ' ' LEU . 18.7 t90 -120.26 0.56 10.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.432 ' CD ' ' HA ' ' A' ' 118' ' ' ASP . 5.9 ptm180 -98.57 -24.52 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 34' ' ' GLU . 60.5 mt -89.2 -62.06 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 124' ' ' ASN . 4.4 mp -54.58 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.549 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 15.3 m-80 -49.31 179.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 20.3 p80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' GLU . 7.3 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.827 0.346 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . 5.3 mm-40 -36.77 -52.86 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.02 -45.52 93.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -55.03 -50.45 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 11' ' ' ILE . 1.6 mm? -49.39 -68.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.16 -36.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.801 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -66.55 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 2.1 mtt -46.13 -40.22 10.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' NH1' ' A' ' 32' ' ' ARG . 4.6 m80 -51.67 -34.64 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.75 -42.91 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.801 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -85.65 136.26 37.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -34.79 13.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' SD ' ' A' ' 27' ' ' MET . . . -55.3 -39.39 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 21.2 m-85 -85.77 -49.75 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.15 -39.74 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -47.04 -50.13 20.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -72.2 165.17 24.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.508 HG23 HG23 ' A' ' 31' ' ' VAL . 1.3 t -89.47 158.63 17.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 tpt -38.67 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 m -38.14 -66.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG23 HG23 ' A' ' 28' ' ' THR . 79.1 t -39.59 -59.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 19' ' ' HIS . 48.9 mtt180 -40.07 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ARG . 14.8 ttt180 -34.47 -55.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' HG21 ' A' ' 122' ' ' ILE . 5.6 mm-40 -54.37 -42.41 70.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.741 ' HA ' HG22 ' A' ' 38' ' ' VAL . 44.8 mt -62.78 -45.84 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.475 ' SG ' HD12 ' A' ' 14' ' ' LEU . 72.1 m -54.56 -18.17 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -97.73 -20.63 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.806 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.741 HG22 ' HA ' ' A' ' 35' ' ' LEU . 3.3 m -112.8 14.52 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.452 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 5.9 ptp -111.26 146.68 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 112' ' ' VAL . 48.4 mt -95.82 154.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 40' ' ' ILE . 47.0 m-85 -115.96 114.25 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -139.85 153.14 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.45 121.21 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.34 126.89 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -88.91 -41.34 12.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -86.44 119.6 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.72 178.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.38 9.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.36 141.22 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.732 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -78.21 118.63 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.936 HD11 HG23 ' A' ' 104' ' ' THR . 2.6 mm -87.74 -42.77 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.29 146.88 30.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -108.38 152.69 24.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -66.88 134.76 52.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.03 30.77 24.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.26 126.61 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 8.9 tt0 -66.87 86.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 88' ' ' GLY . 6.7 mt -54.79 124.12 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -129.74 -3.14 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.3 m -134.18 126.77 30.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.432 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 29.4 t90 -75.72 124.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.0 m-85 -101.59 151.6 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.432 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 61.5 t -139.95 153.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HG12 ' A' ' 63' ' ' VAL . 32.6 mt -97.44 98.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.35 -36.25 34.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.15 141.48 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.23 177.0 39.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.808 HG23 ' O ' ' A' ' 81' ' ' LEU . 65.5 m -120.55 135.09 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.135 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 m -116.55 142.23 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -114.42 140.44 48.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.526 ' O ' HG13 ' A' ' 78' ' ' VAL . 62.2 mt -114.26 142.61 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -127.24 130.34 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -102.76 149.49 36.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.29 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.2 -46.53 17.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -126.5 145.84 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 71' ' ' ILE . 57.6 t -134.91 103.92 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.96 172.93 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.95 109.74 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 68' ' ' THR . 29.6 mt -107.22 153.95 21.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -133.05 162.47 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.405 ' HA ' HG22 ' A' ' 64' ' ' ILE . 8.4 ttt -38.33 115.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.75 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 125.6 -39.31 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.44 175.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -148.43 149.36 31.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -149.41 164.95 33.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.68 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 129.87 -100.5 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 58' ' ' LEU . 18.9 pt -127.81 -176.79 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.22 160.41 26.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.551 0.691 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.76 -0.36 6.8 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 34.0 p -97.97 131.43 44.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' THR . 58.5 mt -34.43 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.1 m-20 -42.22 139.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -93.8 176.29 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HG2' HG22 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -166.34 160.98 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.2 m-85 -127.41 146.82 50.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 tpt -66.01 136.77 56.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.47 29.46 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.22 -160.06 22.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.9 mt -130.34 127.36 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.3 t -98.65 144.34 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -156.5 131.41 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.936 HG23 HD11 ' A' ' 51' ' ' ILE . 64.2 p -64.01 151.22 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -98.01 -28.83 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.09 173.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -91.0 174.18 7.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.31 34.53 20.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 5.9 m -82.16 131.95 35.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -107.63 140.19 41.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 77.2 m-85 -143.15 174.54 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 40' ' ' ILE . 3.4 p -146.47 142.68 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 10.0 m -116.31 131.61 56.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.567 HD13 HD22 ' A' ' 35' ' ' LEU . 95.0 mt -130.21 122.71 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.44 137.04 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -51.83 -58.65 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -40.31 -54.5 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.24 -30.98 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.485 ' O ' HD13 ' A' ' 123' ' ' LEU . 10.9 t80 -69.69 -21.22 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.646 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 42.3 t90 -109.89 1.86 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -99.77 -13.29 19.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 31' ' ' VAL . 53.1 mt -103.35 -50.55 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 119' ' ' TYR . 5.1 mp -66.47 -33.4 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 5.1 m-80 -83.98 -174.96 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m170 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.36 -45.42 8.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.7 -45.04 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.561 HD13 ' SG ' ' A' ' 36' ' ' CYS . 3.1 mt -63.13 -59.75 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . 70.3 mt -35.23 -48.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.23 -49.09 79.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.824 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.8 t80 -61.18 -56.1 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 10.6 mtp -44.75 -42.91 8.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -53.17 -37.73 62.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -66.39 -41.73 88.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.824 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 7.2 mt -68.48 141.3 93.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -40.36 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.4 -42.17 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 35.0 m-85 -86.16 -17.95 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.37 90.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -53.61 -21.76 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.421 ' SD ' HG11 ' A' ' 31' ' ' VAL . 15.5 mtt -100.43 168.09 9.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -98.62 -178.16 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' ARG . 33.2 tpp -59.08 -66.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 29' ' ' MET . 58.4 m -35.28 -44.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 48.2 t -61.6 -45.59 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' MET . 96.9 mtt180 -56.14 -69.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -42.27 -46.56 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -58.31 -49.62 76.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 114' ' ' ILE . 19.2 mt -55.99 -48.2 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.561 ' SG ' HD13 ' A' ' 14' ' ' LEU . 16.6 t -55.18 -15.43 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -93.37 -20.28 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 35' ' ' LEU . 3.7 m -121.06 21.54 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.664 ' SD ' HG21 ' A' ' 112' ' ' VAL . 2.9 ptp -115.02 141.02 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.68 HD13 ' HB3' ' A' ' 113' ' ' CYS . 4.3 mp -90.79 159.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.519 ' N ' HG22 ' A' ' 40' ' ' ILE . 27.3 m-85 -113.56 109.57 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -135.59 148.99 49.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 109' ' ' CYS . 7.1 p -151.6 124.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.52 HG11 ' HB3' ' A' ' 49' ' ' ALA . 60.5 t -81.13 132.17 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -97.13 -35.99 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -97.1 110.09 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.24 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.91 17.74 30.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.52 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -80.9 136.85 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.716 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.2 mp -79.2 110.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.04 HD11 HG23 ' A' ' 104' ' ' THR . 7.1 mm -73.59 -42.53 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -142.12 179.35 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.79 134.34 38.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.456 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 1.2 t70 -60.16 134.42 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.81 39.61 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' OE1' ' A' ' 56' ' ' GLN . 0.9 OUTLIER -128.12 143.83 51.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.309 . . . . 0.0 110.932 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.95 99.77 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 88' ' ' GLY . 8.5 mt -64.05 119.25 9.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.15 25.95 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -166.8 135.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.525 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 27.6 t90 -88.16 121.19 30.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.95 151.25 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.434 ' HB ' HG12 ' A' ' 112' ' ' VAL . 61.4 t -138.4 147.72 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mt -87.31 102.41 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.92 -35.74 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -163.52 135.56 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.12 -168.55 14.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 81' ' ' LEU . 52.2 m -133.23 132.98 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 111.139 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.0 132.6 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -104.48 129.88 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -109.72 136.25 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.5 t -118.25 142.81 47.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -110.87 147.15 35.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.29 37.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 -45.56 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.9 36.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -132.49 150.03 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.66 113.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -87.67 144.89 26.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.71 107.39 11.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 68' ' ' THR . 48.3 mt -100.78 149.89 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -124.67 169.38 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.8 ttt -45.15 115.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.472 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 126.66 -33.44 3.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.454 ' HB3' HD22 ' A' ' 81' ' ' LEU . 20.4 m120 -71.48 159.74 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 p -131.47 153.36 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -156.27 156.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.947 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 139.06 -85.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 116' ' ' GLN . 7.7 pt -143.02 -176.15 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.08 160.55 26.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.73 0.89 4.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.9 p -97.38 130.88 44.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.731 HD21 ' CE3' ' A' ' 120' ' ' TRP . 77.1 mt -38.18 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.991 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.1 m-20 -48.95 149.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 173.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -159.52 153.17 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.32 133.82 55.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 tpt -53.02 147.36 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -126.18 43.39 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 159.1 173.96 28.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.1 mt -103.99 125.47 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 t -96.12 133.87 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -145.88 130.85 18.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.04 HG23 HD11 ' A' ' 51' ' ' ILE . 57.6 p -59.31 161.41 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -108.49 -32.15 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.74 171.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.88 172.9 11.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.4 t0 59.74 44.0 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.554 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.6 m -93.8 123.2 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.86 149.06 22.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 84.6 m-85 -151.51 167.98 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.664 HG21 ' SD ' ' A' ' 39' ' ' MET . 12.3 p -138.32 142.67 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.68 ' HB3' HD13 ' A' ' 40' ' ' ILE . 1.7 t -110.49 139.92 45.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.668 HD13 HD22 ' A' ' 35' ' ' LEU . 62.4 mt -146.4 120.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 142.77 55.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.688 ' HB3' HD13 ' A' ' 89' ' ' ILE . 6.0 pt20 -61.87 -40.58 95.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.475 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 12.8 mm-40 -51.81 -50.11 61.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.43 -28.93 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.525 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 4.4 t80 -66.24 -13.09 59.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.731 ' CE3' HD21 ' A' ' 93' ' ' LEU . 59.3 t90 -113.02 4.45 16.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -104.95 -24.02 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 85.5 mt -92.42 -62.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -54.98 -57.28 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.422 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 8.7 m-80 -58.86 -177.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 29.4 m170 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.773 0.32 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.22 -54.73 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.436 ' O ' ' CG ' ' A' ' 16' ' ' GLU . 5.6 pt20 -57.97 -49.32 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.688 HD13 ' SG ' ' A' ' 36' ' ' CYS . 3.8 mt -52.59 -57.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 32' ' ' ARG . 30.6 mt -48.58 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 13' ' ' GLN . 7.9 pt-20 -40.52 -34.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.679 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.7 t80 -73.84 -48.25 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mtp -50.87 -31.88 18.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -64.84 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.679 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 22.7 mt -75.27 142.23 74.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.54 3.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.8 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HD2' HD12 ' A' ' 21' ' ' LEU . 7.8 m-85 -86.73 -40.54 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.99 -33.09 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -46.13 -46.58 17.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.41 161.27 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 30' ' ' SER . 11.9 t -86.32 173.46 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 ttt -50.9 -46.41 60.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.443 ' HB2' HG23 ' A' ' 28' ' ' THR . 3.9 m -41.57 -66.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -48.97 -48.72 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.778 ' HA ' HD12 ' A' ' 35' ' ' LEU . 58.3 mtt180 -49.29 -69.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -38.38 -52.52 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.64 -41.21 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 32' ' ' ARG . 13.0 mt -64.17 -52.49 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.688 ' SG ' HD13 ' A' ' 14' ' ' LEU . 1.8 t -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t -68.22 -36.78 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.571 HG21 ' HB3' ' A' ' 118' ' ' ASP . 31.9 m -115.21 22.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.937 ' SD ' HD11 ' A' ' 114' ' ' ILE . 2.6 mmm -88.96 115.68 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.63 148.62 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.79 133.14 46.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -150.86 129.14 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.9 t -137.33 127.34 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.616 HG11 ' HB3' ' A' ' 49' ' ' ALA . 58.8 t -94.63 122.84 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -89.61 -39.63 13.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.0 118.9 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 176.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.98 23.88 12.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -81.18 140.3 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.719 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -80.19 121.82 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.935 HD11 HG23 ' A' ' 104' ' ' THR . 2.5 mm -85.37 -40.22 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 62' ' ' TYR . 27.1 mt -148.79 171.21 16.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.3 146.94 51.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.83 126.61 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.29 29.44 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -118.95 118.38 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.59 96.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 6.8 mt -64.56 118.97 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 35.9 p30 -128.39 27.61 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -160.49 141.41 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 20.9 t90 -92.17 123.04 35.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.7 m-85 -105.99 117.36 33.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.437 ' HB ' HG12 ' A' ' 112' ' ' VAL . 95.0 t -113.99 123.04 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 83' ' ' MET . 37.1 mt -60.39 112.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.547 HD11 ' HB ' ' A' ' 112' ' ' VAL . 21.8 mt -94.24 -36.04 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -159.89 149.83 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.39 -163.9 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 81' ' ' LEU . 88.1 m -134.98 137.55 43.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -120.89 130.02 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.61 126.55 52.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.546 ' O ' HG13 ' A' ' 78' ' ' VAL . 46.3 mt -104.01 144.46 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 m -131.38 117.08 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -89.03 151.04 46.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.226 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.77 -43.28 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.76 31.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -123.73 152.7 41.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 71' ' ' ILE . 37.4 t -136.86 108.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -87.67 135.46 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -112.18 107.11 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 68' ' ' THR . 21.2 mt -104.1 152.13 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.82 172.82 11.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.434 ' HA ' HG22 ' A' ' 64' ' ' ILE . 16.5 ttt -44.78 118.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.471 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 121.64 -43.16 1.54 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.92 165.95 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 p -134.23 157.35 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 62' ' ' TYR . 27.3 p90 -166.21 147.32 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.36 -100.23 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 6.8 pt -130.62 171.04 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.442 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -102.3 162.01 21.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.6 0.714 . . . . 0.0 111.104 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 4.27 2.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -98.29 129.1 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.468 HD21 ' CE3' ' A' ' 120' ' ' TRP . 74.6 mt -42.98 -29.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -39.46 130.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -73.68 146.17 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.442 ' NE2' ' OG1' ' A' ' 90' ' ' THR . 17.2 mt-30 -141.72 130.88 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.01 133.16 52.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.459 ' SD ' HD21 ' A' ' 58' ' ' LEU . 11.9 tpt -56.04 143.14 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -124.59 40.49 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.15 179.36 45.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.31 120.95 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 t -92.86 142.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -151.38 130.88 12.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.935 HG23 HD11 ' A' ' 51' ' ' ILE . 55.5 p -60.15 167.73 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -114.71 -27.47 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 m -134.89 -177.25 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.85 170.06 9.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 56.18 48.63 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 44.7 m -95.02 134.53 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -101.22 145.92 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 76.4 m-85 -153.98 139.7 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.635 HG21 ' SD ' ' A' ' 39' ' ' MET . 4.4 p -108.0 151.09 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 m -127.8 146.84 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.937 HD11 ' SD ' ' A' ' 39' ' ' MET . 65.9 mt -146.93 118.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.13 139.1 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -49.46 -56.46 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -43.18 -66.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.571 ' HB3' HG21 ' A' ' 38' ' ' VAL . 13.4 m-20 -51.04 -44.57 61.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.613 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.4 t80 -53.88 -35.13 61.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.534 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 57.0 t90 -95.67 2.59 54.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 42.5 ttm-85 -99.28 -18.28 17.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 35' ' ' LEU . 53.2 mt -99.04 -70.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -45.85 -40.37 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.477 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 6.9 m-80 -76.42 -175.12 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.923 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.0 mm . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.823 0.344 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -70.87 -34.33 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.793 HD13 ' SG ' ' A' ' 36' ' ' CYS . 7.7 mt -72.95 -60.5 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -42.4 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 13.6 pt-20 -42.51 -39.99 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.696 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -71.08 -39.09 72.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.9 mtp -65.2 -14.55 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH12 ' A' ' 32' ' ' ARG . 8.4 t-80 -80.35 -15.62 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -94.2 -13.62 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.696 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 43.9 mt -102.99 140.26 20.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.72 -35.79 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -93.32 -35.31 13.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.01 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -70.46 -7.58 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.78 152.51 50.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -54.51 161.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.86 -44.81 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 t -51.91 -23.48 4.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 t -87.25 -25.82 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.514 HH12 ' CD2' ' A' ' 19' ' ' HIS . 96.9 mtt180 -68.16 -54.08 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.05 -45.58 75.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.56 -38.96 70.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 HD13 ' A' ' 114' ' ' ILE . 23.1 mt -63.84 -45.05 91.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.793 ' SG ' HD13 ' A' ' 14' ' ' LEU . 49.0 t -52.25 -23.8 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -74.66 -35.18 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.32 21.48 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.437 ' SD ' HG21 ' A' ' 112' ' ' VAL . 4.6 mtt -84.57 140.12 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 112' ' ' VAL . 3.8 mm -102.34 157.79 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 40' ' ' ILE . 39.4 m-85 -113.3 114.36 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -141.46 142.4 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.25 125.47 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 49' ' ' ALA . 92.3 t -90.31 123.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -91.38 -43.44 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 79.0 mt-30 -81.9 103.54 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.55 171.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.12 33.14 37.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -90.11 146.48 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.696 ' N ' HD12 ' A' ' 50' ' ' ILE . 2.7 mp -80.57 123.47 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.888 HD11 HG23 ' A' ' 104' ' ' THR . 3.2 mm -92.5 -35.7 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 58' ' ' LEU . 28.5 mt -154.72 127.06 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -87.0 152.0 22.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.51 109.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.86 24.03 8.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -97.86 109.68 22.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -45.81 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.937 HD13 ' O ' ' A' ' 88' ' ' GLY . 13.5 mt -66.99 114.31 5.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -125.26 33.89 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.7 p -169.36 133.54 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.439 ' CZ2' ' HB2' ' A' ' 86' ' ' SER . 15.2 t90 -82.51 121.92 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.547 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 m-85 -104.03 137.7 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.1 t -134.37 117.2 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.7 mt -53.65 115.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.58 -43.29 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -155.76 121.34 4.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.79 -168.75 13.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 81' ' ' LEU . 98.9 m -132.21 135.37 46.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.0 m -117.29 133.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -104.76 132.36 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 78' ' ' VAL . 46.3 mt -110.05 131.41 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -118.85 127.54 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -98.69 148.77 35.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.49 37.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -76.23 -43.89 40.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.29 33.12 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.93 156.18 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 71' ' ' ILE . 25.9 t -137.89 118.33 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.96 121.47 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.81 118.65 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.911 HD22 ' CG ' ' A' ' 85' ' ' ASN . 48.9 mt -110.56 163.85 13.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 83' ' ' MET . 25.7 m-85 -144.73 158.95 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.459 ' HE2' HD21 ' A' ' 21' ' ' LEU . 9.9 ttt -34.52 110.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 133.53 -25.48 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.911 ' CG ' HD22 ' A' ' 81' ' ' LEU . 3.6 t-20 -75.79 171.73 13.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.439 ' HB2' ' CZ2' ' A' ' 61' ' ' TRP . 58.7 p -141.0 129.62 22.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 8.3 p90 -144.16 154.01 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.937 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 139.28 -83.8 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 116' ' ' GLN . 10.1 pt -142.98 175.58 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.479 ' H ' ' NE2' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -101.32 160.53 26.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.522 0.677 . . . . 0.0 111.183 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.8 Cg_endo -69.79 0.92 4.97 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' ASP . 58.4 p -92.79 134.54 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 19.8 mt -42.28 -24.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 92' ' ' THR . 3.7 t70 -58.76 155.88 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -100.63 165.72 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.479 ' NE2' ' H ' ' A' ' 90' ' ' THR . 3.7 mp0 -147.67 147.9 30.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.49 149.01 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -64.94 112.41 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -83.7 37.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' N ' ' SD ' ' A' ' 98' ' ' MET . . . 163.67 -161.9 34.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.27 123.52 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.8 t -98.66 140.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -148.33 131.13 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.888 HG23 HD11 ' A' ' 51' ' ' ILE . 14.6 p -61.25 154.61 23.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -103.5 -22.2 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.48 173.19 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.4 175.8 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.18 40.88 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.12 129.7 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -95.84 135.24 37.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.31 142.53 37.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.4 p -116.49 143.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.406 ' C ' HG13 ' A' ' 114' ' ' ILE . 56.8 m -120.49 149.37 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.574 HD13 HD22 ' A' ' 35' ' ' LEU . 52.1 mt -144.82 119.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.15 147.89 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 93' ' ' LEU . 3.2 tt0 -65.03 -58.82 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -40.03 -49.51 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.41 -38.6 77.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.527 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.8 t80 -62.28 -23.71 66.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.556 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 53.0 t90 -101.0 4.65 42.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 121' ' ' ARG . 14.5 ttm105 -102.98 -27.34 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 52.7 mt -87.29 -72.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.05 -54.79 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.448 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.0 m-80 -55.31 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.4 p80 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LEU . 33.9 mt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.795 0.331 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -46.09 -42.08 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.98 -26.57 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 34.0 tp -78.46 -47.3 17.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' CE ' ' A' ' 29' ' ' MET . 36.3 mt -49.49 -53.58 22.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -44.27 -48.86 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.76 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 1.9 t80 -60.41 -58.61 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.568 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.5 mtp -42.23 -47.31 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CD2' HH12 ' A' ' 32' ' ' ARG . 2.3 t-80 -45.85 -42.22 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -58.02 -44.15 87.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 11.8 mt -69.73 139.21 88.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.61 0.719 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.9 9.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.34 79.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 20.8 m-85 -88.76 -39.81 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.79 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -42.8 -45.27 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.521 ' SD ' HD11 ' A' ' 35' ' ' LEU . 7.3 mtt -76.06 161.36 28.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.423 HG22 HG23 ' A' ' 31' ' ' VAL . 15.4 t -85.27 160.65 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.498 ' CE ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.66 -53.54 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' VAL . 28.3 m -47.57 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.626 HG13 HG22 ' A' ' 122' ' ' ILE . 80.6 t -36.26 -54.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.512 HH12 ' CD2' ' A' ' 19' ' ' HIS . 93.4 mtt180 -45.47 -49.52 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -61.81 -54.04 47.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -51.6 -36.45 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.521 HD11 ' SD ' ' A' ' 27' ' ' MET . 23.2 mt -62.34 -49.33 76.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 49.4 t -59.78 -12.11 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -97.7 -10.08 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.404 HG21 ' HB3' ' A' ' 118' ' ' ASP . 23.0 m -132.54 21.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.779 ' SD ' HG21 ' A' ' 112' ' ' VAL . 3.4 ptp -114.31 156.47 24.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.905 HD12 ' HB3' ' A' ' 113' ' ' CYS . 34.6 mt -106.03 145.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -102.18 103.67 14.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -127.99 156.67 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 109' ' ' CYS . 2.1 p -152.8 123.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -78.38 131.59 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -95.8 -38.71 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -92.43 111.31 22.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.45 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.405 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 43.34 35.97 2.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.05 138.63 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.728 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.4 mp -74.55 110.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 104' ' ' THR . 6.7 mm -76.81 -42.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -143.99 155.89 44.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -111.51 150.56 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.03 138.78 57.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.08 40.07 62.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -117.87 113.76 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -50.29 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.38 127.94 34.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.457 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -125.49 -28.81 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 m -104.4 153.58 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.618 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 21.6 t90 -97.38 145.29 26.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 27.4 m-85 -128.43 128.55 44.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.526 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 97.2 t -122.9 134.51 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mt -72.43 104.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' A' ' 112' ' ' VAL . 75.6 mt -83.71 -41.87 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -156.02 138.89 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.68 -177.32 26.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.855 HG22 ' HG3' ' A' ' 105' ' ' LYS . 92.6 m -121.63 138.46 54.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.136 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.0 m -122.81 135.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -111.67 141.5 45.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 102' ' ' VAL . 65.4 mt -114.72 135.58 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t -118.56 131.6 56.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -101.68 148.09 34.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -16.28 37.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -75.48 -45.84 36.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.7 33.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -128.34 163.04 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -147.88 119.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -92.0 168.6 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.23 107.21 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 68' ' ' THR . 10.0 mt -100.19 155.87 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -127.56 177.51 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ttt -53.54 118.04 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.22 -31.52 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.85 170.34 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.9 p -142.12 142.48 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.9 p90 -145.25 147.76 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.68 -106.66 0.49 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 59' ' ' ASP . 6.0 pt -121.62 159.77 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.89 158.86 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.504 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.4 Cg_endo -69.75 2.74 3.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.406 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' LEU . 71.8 p -99.15 131.12 45.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 120' ' ' TRP . 17.1 mt -34.93 -36.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' THR . 34.6 m-20 -44.1 141.07 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -78.64 169.18 18.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -145.7 132.39 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -110.71 139.98 45.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.0 tpt -77.38 142.42 39.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -123.17 31.75 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.86 -169.05 37.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.9 128.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 71' ' ' ILE . 42.8 t -99.18 139.25 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.405 HH21 ' CA ' ' A' ' 48' ' ' GLY . 8.6 mtp180 -145.87 134.25 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.0 HG23 HD11 ' A' ' 51' ' ' ILE . 15.2 p -59.04 165.22 2.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.855 ' HG3' HG22 ' A' ' 68' ' ' THR . 3.6 mmpt? -108.34 -27.34 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.19 -178.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -94.38 162.66 13.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.22 46.66 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.408 ' O ' HG23 ' A' ' 43' ' ' VAL . 34.5 m -94.02 128.58 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -97.84 143.83 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -146.4 172.3 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.779 HG21 ' SD ' ' A' ' 39' ' ' MET . 8.1 p -141.87 140.46 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.905 ' HB3' HD12 ' A' ' 40' ' ' ILE . 1.8 t -115.15 130.74 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.484 HD13 HD22 ' A' ' 35' ' ' LEU . 32.1 mt -133.61 127.61 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.71 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 119' ' ' TYR . 35.0 tt0 -60.97 -63.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.2 mp0 -37.53 -55.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HB3' HG21 ' A' ' 38' ' ' VAL . 15.7 m-20 -61.81 -35.52 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.618 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.6 t80 -65.29 -36.95 85.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.568 ' CE3' HD21 ' A' ' 93' ' ' LEU . 45.0 t90 -94.05 3.11 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.8 tpt85 -101.53 -26.94 13.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.626 HG22 HG13 ' A' ' 31' ' ' VAL . 60.6 mt -89.19 -59.33 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.43 -64.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.532 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 12.5 m-80 -52.97 -178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.732 0.301 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -46.21 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -60.93 -13.26 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.92 -45.34 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' MET . 22.8 mt -56.44 -65.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 6.3 pt-20 -38.87 -36.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.467 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 1.5 t80 -75.03 -38.92 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 24' ' ' PHE . 11.1 mmm -57.4 -49.7 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' HA ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.26 -23.12 62.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.441 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 4.6 mm100 -67.31 -13.58 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.596 HD22 ' HA2' ' A' ' 84' ' ' GLY . 77.5 mt -103.8 144.86 29.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.83 5.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -26.64 68.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' A' ' 18' ' ' MET . 2.7 m-85 -97.56 -25.08 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.34 12.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.65 -40.38 59.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.512 ' SD ' HG11 ' A' ' 31' ' ' VAL . 13.0 mtt -87.73 166.08 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -108.37 173.36 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.4 mmm -41.55 -59.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -39.38 -69.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG11 ' SD ' ' A' ' 27' ' ' MET . 19.9 t -44.47 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.7 -47.0 30.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -61.17 -49.44 77.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -56.9 -50.74 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD22 HD13 ' A' ' 114' ' ' ILE . 27.7 mt -51.99 -48.35 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 t -47.09 -20.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t -76.73 -36.23 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 118' ' ' ASP . 25.8 m -114.4 23.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.951 ' SD ' HD11 ' A' ' 114' ' ' ILE . 1.5 mmt -90.93 119.37 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mt -86.75 140.62 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.45 ' C ' ' OE1' ' A' ' 42' ' ' GLU . 47.6 m-85 -97.0 126.9 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 41' ' ' PHE . 20.5 mp0 -143.33 145.72 32.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.56 124.77 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.545 HG11 ' HB3' ' A' ' 49' ' ' ALA . 84.5 t -93.55 126.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.21 -36.94 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -83.69 112.66 20.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 167.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.98 24.14 57.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -81.13 140.05 35.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.713 ' N ' HD12 ' A' ' 50' ' ' ILE . 2.2 mp -78.7 117.6 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.932 HD11 HG23 ' A' ' 104' ' ' THR . 4.9 mm -83.26 -40.51 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.3 mt -143.79 172.44 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.21 133.7 41.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 2.5 t70 -56.57 124.93 19.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.63 33.79 9.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -119.56 110.94 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 97' ' ' TYR . 8.1 tt0 -46.68 99.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 96' ' ' GLN . 4.1 mt -65.7 126.75 29.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -129.72 28.67 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -171.64 142.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -86.57 138.5 31.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 37.2 m-85 -120.1 135.59 54.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.6 t -136.46 120.56 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 mt -54.4 119.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.586 HD11 ' HB ' ' A' ' 112' ' ' VAL . 92.8 mt -97.09 -41.31 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -156.0 135.46 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.79 -170.52 20.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 m -122.26 150.13 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.11 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.481 HG11 ' HE2' ' A' ' 111' ' ' PHE . 31.1 m -133.62 133.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -112.68 131.53 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.664 ' O ' HG13 ' A' ' 78' ' ' VAL . 51.8 mt -107.67 140.23 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -124.11 147.77 47.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -117.31 146.77 39.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.49 37.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.236 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.99 -47.36 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.98 37.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -136.54 149.41 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 71' ' ' ILE . 31.8 t -138.37 116.38 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -88.23 158.47 18.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.07 111.56 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.931 HD22 ' CG ' ' A' ' 85' ' ' ASN . 66.3 mt -106.41 154.81 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' MET . 42.4 m-85 -132.88 160.15 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' PHE . 17.2 ttt -36.52 109.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.596 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 134.97 -33.29 2.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.931 ' CG ' HD22 ' A' ' 81' ' ' LEU . 7.8 t-20 -68.2 174.17 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 p -145.23 136.16 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 34.1 p90 -143.96 146.81 33.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 145.52 -112.7 0.66 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.7 pt -119.91 -178.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -103.41 157.93 32.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.73 1.37 4.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.618 2.212 . . . . 0.0 112.378 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.7 p -100.23 135.47 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.511 HD21 ' CE3' ' A' ' 120' ' ' TRP . 42.8 mt -35.87 -32.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 7.9 m-20 -46.54 143.64 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -104.61 161.7 13.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.445 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.6 pt20 -156.48 147.92 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 3.6 m-85 -103.59 160.57 14.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.7 tpt -69.8 151.41 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.62 34.0 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 164.63 -167.81 38.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.3 mt -116.48 140.94 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.1 t -115.11 130.88 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -142.93 130.81 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.932 HG23 HD11 ' A' ' 51' ' ' ILE . 37.2 p -61.24 158.44 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -28.89 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.52 -176.62 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.22 168.86 9.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 70.61 26.4 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.3 m -81.1 136.73 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -112.1 143.5 43.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.481 ' HE2' HG11 ' A' ' 69' ' ' VAL . 70.6 m-85 -142.58 164.92 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.604 HG21 ' SD ' ' A' ' 39' ' ' MET . 9.3 p -129.0 148.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.436 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 21.5 m -127.77 147.82 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.951 HD11 ' SD ' ' A' ' 39' ' ' MET . 63.1 mt -146.53 125.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.52 129.26 39.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 119' ' ' TYR . 34.8 tt0 -40.87 -64.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 116' ' ' GLN . 30.7 mm-40 -36.48 -59.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.589 ' HB3' HG21 ' A' ' 38' ' ' VAL . 20.2 m-20 -63.62 -30.42 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.0 t80 -72.23 -19.31 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.545 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 43.4 t90 -110.19 2.38 19.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -98.18 -15.26 19.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 31' ' ' VAL . 57.4 mt -101.97 -69.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.42 -46.26 18.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.53 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 10.9 m-80 -72.4 -175.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.5 mt . . . . . 0 C--O 1.23 0.04 0 CA-C-O 120.815 0.34 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.44 -32.75 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -79.45 -18.93 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 36' ' ' CYS . 4.0 mt -91.79 -62.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.498 HD21 ' N ' ' A' ' 33' ' ' ARG . 14.3 mt -35.7 -55.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 12.0 pt-20 -56.24 -40.58 74.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.2 t80 -67.28 -37.07 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.512 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 38.9 mtp -62.1 -11.93 16.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -81.4 -7.42 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -103.76 -15.51 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 30.9 mt -97.3 137.73 21.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -43.66 2.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.3 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.01 -28.41 57.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CE1' ' HE3' ' A' ' 18' ' ' MET . 30.4 m-85 -95.51 -51.65 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.14 -32.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.42 -49.07 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.849 ' SD ' HD11 ' A' ' 35' ' ' LEU . 7.1 mtt -72.02 174.95 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' MET . 8.9 t -96.67 160.58 14.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' THR . 1.1 tpt -36.59 -68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' MET . 39.4 m -38.43 -66.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 27' ' ' MET . 20.3 t -38.09 -59.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.606 ' HA ' HD12 ' A' ' 35' ' ' LEU . 84.2 mtt180 -39.13 -58.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.498 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.9 tmt_? -53.44 -54.99 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.553 ' HB2' HG21 ' A' ' 122' ' ' ILE . 13.7 mm-40 -46.56 -47.5 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.849 HD11 ' SD ' ' A' ' 27' ' ' MET . 13.6 mt -51.53 -52.01 50.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 14' ' ' LEU . 6.6 t -55.91 -16.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -72.87 -31.84 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.38 19.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.7 mtt -74.75 134.58 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 112' ' ' VAL . 59.4 mt -97.16 151.18 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -109.77 109.38 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -141.92 132.81 25.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 109' ' ' CYS . 6.9 p -141.89 129.03 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.7 t -84.36 127.2 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -88.37 -34.13 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -95.18 123.53 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.98 176.54 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.0 33.38 29.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.23 144.28 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.312 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.72 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.6 mp -81.07 117.66 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.009 HD11 HG23 ' A' ' 104' ' ' THR . 3.8 mm -83.16 -40.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.1 mt -145.19 172.91 12.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -133.06 143.19 49.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -63.93 126.8 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.37 23.52 24.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -107.73 122.27 46.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 91.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 88' ' ' GLY . 5.6 mt -65.66 124.86 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.63 -8.69 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 139.82 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.1 t90 -91.56 119.03 31.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 6.8 m-85 -101.18 145.9 28.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 86' ' ' SER . 58.6 t -138.26 139.55 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 mt -80.74 123.6 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 112' ' ' VAL . 70.6 mt -107.48 -35.18 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -153.21 134.54 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.55 -169.85 19.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -132.72 133.54 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.152 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.19 141.51 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -116.62 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mt -111.36 134.59 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -118.07 140.1 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -111.86 148.34 38.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -17.98 36.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.11 -49.69 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.45 34.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -127.72 146.86 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.5 t -133.91 101.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 159.59 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.39 106.85 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.06 HD22 ' CG ' ' A' ' 85' ' ' ASN . 15.3 mt -99.85 153.55 19.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -128.61 166.79 18.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.9 ttt -39.7 110.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.651 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 135.09 -34.19 2.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 1.06 ' CG ' HD22 ' A' ' 81' ' ' LEU . 1.4 t30 -74.74 170.2 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.775 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -145.6 146.07 31.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 10.4 p90 -142.22 151.45 42.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.507 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 140.5 -112.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.528 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.2 pt -115.32 -175.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.33 160.2 30.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.477 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 0.53 5.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' ASP . 46.7 p -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.7 mt -37.82 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.47 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.7 m-20 -48.69 150.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.89 175.36 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 6.5 mp0 -150.41 165.42 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -139.14 132.53 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.0 tpt -65.07 139.4 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -120.53 32.29 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.18 178.98 48.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.41 117.8 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.55 141.63 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -149.47 130.84 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.009 HG23 HD11 ' A' ' 51' ' ' ILE . 70.9 p -60.1 158.99 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -104.44 -34.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.0 -179.38 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.39 168.1 11.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.22 48.42 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.713 ' O ' HG23 ' A' ' 43' ' ' VAL . 35.9 m -93.16 127.93 38.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -99.22 145.46 27.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 64.6 m-85 -152.32 153.37 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 40' ' ' ILE . 13.6 p -126.41 142.23 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 63.1 m -120.19 143.56 48.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 119' ' ' TYR . 74.6 mt -136.61 119.54 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.82 136.81 39.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' TYR . 32.8 tt0 -49.35 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.4 mp0 -36.94 -61.5 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.23 -30.32 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.1 t80 -71.32 -23.36 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.55 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 9.9 t90 -104.28 -2.31 25.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -98.86 -0.13 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 34' ' ' GLU . 72.5 mt -112.75 -59.92 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -84.99 -175.78 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mm . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.805 0.336 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -40.61 -58.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -53.08 -33.44 52.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -69.81 -51.12 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -56.93 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 5.3 pt-20 -46.7 -31.97 3.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.517 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.6 t80 -82.99 -37.68 23.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.551 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 28.3 mmm -49.0 -20.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -69.84 -35.36 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.548 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 22.8 mt-30 -60.46 -38.69 85.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.916 HD12 ' CD2' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -83.95 133.81 45.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.664 0.745 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.56 9.01 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.697 2.264 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.28 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.916 ' CD2' HD12 ' A' ' 21' ' ' LEU . 21.7 m-85 -89.42 -48.5 7.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.66 -51.33 21.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -40.94 -41.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.0 mtt -69.43 176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' MET . 1.3 p -103.46 158.41 16.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' THR . 14.7 tpt -35.89 -56.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -49.69 -66.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 122' ' ' ILE . 93.9 t -46.87 -54.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 28' ' ' THR . 44.9 mtt180 -45.69 -57.88 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.7 tmt_? -57.8 -58.34 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -40.46 -44.52 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HA ' HG22 ' A' ' 38' ' ' VAL . 29.3 mt -62.54 -45.68 91.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.6 t -59.72 -14.59 14.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -97.03 -8.01 31.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 35' ' ' LEU . 26.5 m -130.12 8.62 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.505 ' HE2' ' HB3' ' A' ' 39' ' ' MET . 2.1 ptp -103.13 135.9 43.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 41' ' ' PHE . 30.6 mt -82.39 160.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.552 ' N ' HG22 ' A' ' 40' ' ' ILE . 35.2 m-85 -111.23 109.36 19.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.5 150.0 51.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.26 120.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.3 t -84.04 129.85 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -93.92 -39.19 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.29 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' CG ' ' A' ' 107' ' ' ASP . . . -52.94 -175.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.0 33.23 2.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.5 141.37 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.063 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.728 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.6 mp -79.54 110.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.077 HD11 HG23 ' A' ' 104' ' ' THR . 4.1 mm -74.28 -42.19 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 58' ' ' LEU . 64.3 mt -146.09 161.34 40.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -115.71 141.62 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -56.93 129.72 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.03 62.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.11 117.85 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.05 93.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 88' ' ' GLY . 6.3 mt -64.48 117.76 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 89' ' ' ILE . 44.4 t0 -121.59 -28.96 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.471 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 1.4 m -108.78 132.44 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -77.06 139.42 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.6 m-85 -118.32 128.87 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 24' ' ' PHE . 53.7 t -122.6 126.2 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.618 HD11 ' CG2' ' A' ' 69' ' ' VAL . 95.5 mt -66.78 110.45 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.45 -36.9 13.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -157.8 140.07 14.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.67 -176.63 33.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 81' ' ' LEU . 16.0 m -124.96 135.12 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.618 ' CG2' HD11 ' A' ' 64' ' ' ILE . 20.3 m -116.46 132.22 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -104.21 129.18 51.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 78' ' ' VAL . 36.6 mt -104.3 138.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 p -115.73 129.2 56.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.61 146.31 32.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.16 32.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.94 -39.43 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.94 32.63 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.48 161.31 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 71' ' ' ILE . 71.6 t -143.62 115.44 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.12 147.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.43 106.86 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 85' ' ' ASN . 40.0 mt -99.52 159.75 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.64 170.18 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.5 ttt -45.43 121.03 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.472 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 112.99 -28.92 8.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . 0.564 ' HB3' HD22 ' A' ' 81' ' ' LEU . 5.9 m120 -66.4 161.39 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.0 p -129.81 161.27 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -169.94 151.81 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.63 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 135.93 -104.12 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.45 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 7.6 pt -113.13 -178.49 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.0 160.68 26.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.27 3.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.1 p -97.23 148.98 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.596 HD21 ' CE3' ' A' ' 120' ' ' TRP . 18.3 mt -58.46 -19.17 34.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.26 149.59 32.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.29 168.39 10.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -152.69 161.69 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 99' ' ' HIS . 17.2 m-85 -125.17 134.86 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . 0.451 ' SD ' HD21 ' A' ' 58' ' ' LEU . 10.6 tpt -61.31 136.35 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 43.2 m-70 -115.9 34.99 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.23 -166.78 35.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.4 mt -126.59 122.6 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.5 t -93.11 134.88 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -149.34 132.18 16.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.077 HG23 HD11 ' A' ' 51' ' ' ILE . 74.6 p -63.11 160.06 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -109.33 -21.72 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.08 177.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -93.32 175.46 6.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 54.53 41.56 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 5.6 m -87.75 128.09 35.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -99.94 145.21 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -146.85 168.74 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 2.2 p -140.86 140.07 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 6.3 m -114.62 123.49 49.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.62 130.7 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.73 136.99 57.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 119' ' ' TYR . 20.3 tt0 -50.03 -61.35 2.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -44.22 -51.06 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.35 -24.01 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 116' ' ' GLN . 10.8 t80 -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.596 ' CE3' HD21 ' A' ' 93' ' ' LEU . 34.7 t90 -110.55 0.28 17.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 23.0 mtm180 -105.51 -12.08 16.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.631 HG22 HG13 ' A' ' 31' ' ' VAL . 89.5 mt -100.89 -53.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -58.68 5.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.487 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 12.2 m-80 -54.99 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.5 m170 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.5 mm . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.728 0.299 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.75 -49.57 77.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.12 -23.66 62.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.4 tp -86.94 -39.79 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.78 -52.49 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.4 -34.33 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -70.08 -54.75 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.551 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.8 mtp -50.94 -35.23 32.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH12 ' A' ' 32' ' ' ARG . 12.2 t-80 -58.17 -30.81 66.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -73.12 -48.18 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.586 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 24.5 mt -62.48 140.35 96.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -38.35 7.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.36 -26.44 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 38.8 m-85 -103.27 -26.77 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.67 -50.3 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' HG3' ' A' ' 27' ' ' MET . 15.7 p-10 -41.16 -50.27 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.429 ' HG3' ' ND2' ' A' ' 26' ' ' ASN . 17.7 mtt -73.34 167.16 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -96.66 175.84 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.4 OUTLIER -51.25 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' MET . 1.4 t -37.78 -64.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.463 HG12 HD11 ' A' ' 35' ' ' LEU . 70.3 t -43.49 -52.83 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.7 mtt180 -53.53 -55.54 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -50.6 59.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -56.09 -41.38 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' ARG . 9.7 mt -63.94 -46.54 84.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.92 -20.72 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -17.89 26.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 35' ' ' LEU . 17.2 m -120.97 18.0 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.676 ' SD ' HG21 ' A' ' 112' ' ' VAL . 2.8 ptp -111.36 145.26 39.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 112' ' ' VAL . 6.7 mt -100.17 147.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -103.57 115.36 30.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -125.71 148.3 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -138.73 113.78 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.46 123.23 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -93.63 -44.75 8.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.7 114.53 21.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.85 170.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.43 9.36 11.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.48 141.01 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . 0.719 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -80.54 121.34 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 1.011 HD11 HG23 ' A' ' 104' ' ' THR . 4.0 mm -90.81 -40.27 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.533 ' HB2' HG23 ' A' ' 102' ' ' VAL . 78.1 mt -144.13 150.14 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -111.55 143.78 41.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.416 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 15.3 p-10 -60.44 126.37 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.41 25.97 41.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -106.05 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -39.53 106.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 11.5 mt -74.73 107.61 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -124.33 37.59 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.49 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 69.2 p -173.16 129.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TRP . . . . . 0.418 ' N ' HG12 ' A' ' 89' ' ' ILE . 25.6 t90 -79.45 143.11 35.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.497 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 48.2 m-85 -122.05 149.81 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.454 HG11 ' CE2' ' A' ' 24' ' ' PHE . 63.8 t -142.66 126.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.35 105.22 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.67 -42.63 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -152.05 148.96 28.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.87 -173.02 36.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.6 m -128.78 137.93 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.45 HG12 HG22 ' A' ' 104' ' ' THR . 20.8 m -121.61 151.83 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -124.39 136.93 54.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.0 mt -110.51 137.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -114.34 121.25 43.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -96.48 147.44 32.95 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.631 0.729 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.23 34.95 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.741 2.294 . . . . 0.0 112.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.39 29.84 0.89 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 149.33 44.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.4 t -130.06 109.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -81.98 146.72 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -123.41 110.2 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.3 153.68 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -134.52 170.84 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.9 ttt -42.8 118.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.439 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 119.83 -31.06 5.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -72.44 162.59 29.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -134.18 146.26 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.5 p90 -151.77 156.5 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.72 -132.77 6.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 23.9 pt -88.47 -175.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.01 160.52 33.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.586 0.708 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.75 2.42 3.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 94' ' ' ASP . 30.1 p -103.69 135.47 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.894 HD21 ' CE3' ' A' ' 120' ' ' TRP . 15.3 mt -41.63 -26.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.1 m-20 -47.58 132.41 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -92.58 146.93 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -136.64 163.52 30.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.86 140.2 52.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.16 130.35 46.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -106.95 28.35 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -174.77 -156.65 14.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.81 120.18 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.533 HG23 ' HB2' ' A' ' 52' ' ' LEU . 9.7 t -90.77 136.87 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -150.19 131.08 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 1.011 HG23 HD11 ' A' ' 51' ' ' ILE . 73.2 p -65.34 159.85 23.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -111.14 -24.11 10.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.17 -176.62 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.22 173.86 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.19 25.51 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.1 m -72.74 130.89 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -103.21 136.42 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 82.5 m-85 -141.28 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' VAL . . . . . 0.676 HG21 ' SD ' ' A' ' 39' ' ' MET . 7.7 p -141.98 140.33 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -113.49 140.2 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.404 HD13 HD22 ' A' ' 35' ' ' LEU . 26.7 mt -138.6 125.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.21 158.03 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.11 -54.5 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -48.49 -42.53 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.406 ' HA ' ' CG ' ' A' ' 121' ' ' ARG . 14.3 m-20 -75.92 -26.23 56.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.508 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.8 t80 -80.05 -8.94 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TRP . . . . . 0.894 ' CE3' HD21 ' A' ' 93' ' ' LEU . 32.8 t90 -114.33 -10.55 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.406 ' CG ' ' HA ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -98.2 -21.92 16.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.445 HG22 HG13 ' A' ' 31' ' ' VAL . 94.2 mt -87.61 -54.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.54 -70.95 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -52.04 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.2 m -96.33 97.13 9.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.879 0.371 . . . . 0.0 110.825 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.6 p -146.71 138.57 24.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -51.21 99.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -169.95 154.34 5.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.85 0.357 . . . . 0.0 110.903 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.0 m -63.78 160.84 16.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.8 -65.23 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.493 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -41.38 -45.12 2.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.84 0.352 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -121.01 81.93 1.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -81.41 -52.56 7.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 65.2 mt -47.98 -43.69 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HA ' HD12 ' A' ' 15' ' ' LEU . 12.0 mm-40 -50.1 -56.5 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -50.88 -37.99 46.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -74.62 -36.35 62.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.696 HD21 ' HA ' ' A' ' 33' ' ' ARG . 50.3 mt -55.84 -50.54 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -45.72 -40.26 9.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 1.1 t80 -71.8 -38.17 70.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.535 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 30.3 mmm -54.88 -42.63 72.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.407 ' HB2' ' NH1' ' A' ' 32' ' ' ARG . 22.9 t60 -61.84 -38.56 88.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -51.78 -42.26 62.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.601 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 17.6 mt -79.8 142.6 56.9 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.611 0.72 . . . . 0.0 110.917 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.66 -46.1 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.723 2.282 . . . . 0.0 112.348 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.82 -36.44 64.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.086 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.743 ' CE2' HG11 ' A' ' 63' ' ' VAL . 13.1 m-85 -86.64 -9.69 55.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -92.46 -29.34 16.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -45.75 -28.69 1.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -112.18 149.32 32.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.734 HG22 HG23 ' A' ' 31' ' ' VAL . 6.8 t -50.63 169.38 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 32' ' ' ARG . 5.4 tpp -62.38 -55.72 25.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 42.1 m -37.95 -49.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.838 HG13 HG22 ' A' ' 122' ' ' ILE . 57.9 t -57.72 -39.46 70.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.162 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' MET . 52.4 mtt180 -61.04 -55.0 37.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.696 ' HA ' HD21 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -55.48 -41.81 73.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.475 ' N ' ' HD2' ' A' ' 33' ' ' ARG . 24.7 mt-10 -62.14 -43.85 97.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.585 ' HA ' HG22 ' A' ' 38' ' ' VAL . 14.7 mt -61.08 -41.34 96.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 84.1 m -58.29 -17.94 23.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 m -95.63 -9.96 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG22 ' HA ' ' A' ' 35' ' ' LEU . 4.4 m -127.27 16.62 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.708 ' SD ' HG21 ' A' ' 112' ' ' VAL . 5.8 ptp -112.6 137.64 50.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.561 ' O ' HG23 ' A' ' 112' ' ' VAL . 16.3 mt -84.53 158.03 3.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . 44.7 m-85 -108.76 116.84 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -142.14 142.41 32.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.2 p -146.97 117.85 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.155 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 49' ' ' ALA . 99.5 t -76.74 128.06 37.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.113 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -93.78 -42.04 9.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -87.5 103.74 15.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' HB2' ' CG ' ' A' ' 107' ' ' ASP . . . -50.05 -178.59 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.067 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.06 30.03 22.34 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.467 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.417 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -94.9 144.44 25.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.339 . . . . 0.0 111.069 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.724 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.5 mp -79.84 125.47 38.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.951 HD11 HG23 ' A' ' 104' ' ' THR . 3.6 mm -93.8 -39.91 11.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.9 mt -148.32 143.42 26.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.44 ' N ' ' OE1' ' A' ' 53' ' ' GLU . 1.8 mp0 -103.42 160.21 14.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -74.87 128.31 35.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.74 30.59 14.79 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.451 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -109.71 126.91 54.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.895 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -63.34 95.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 88' ' ' GLY . 12.3 mt -67.21 115.28 6.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -122.22 -5.39 8.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 61.4 m -125.63 147.9 49.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 23.5 t90 -93.85 132.53 38.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.531 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 20.2 m-85 -112.63 142.67 44.94 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.743 HG11 ' CE2' ' A' ' 24' ' ' PHE . 86.2 t -138.05 124.88 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -69.33 106.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.16 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.2 mt -85.39 -37.92 19.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.969 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -154.4 149.11 26.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 85.13 175.49 50.58 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.453 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 81' ' ' LEU . 30.9 m -112.94 144.9 41.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.8 m -126.66 132.84 69.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -105.55 136.54 44.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.605 ' O ' HG13 ' A' ' 78' ' ' VAL . 61.7 mt -113.0 139.68 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.106 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.6 t -120.72 140.66 51.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.851 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -113.39 151.9 44.8 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.584 0.707 . . . . 0.0 110.876 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -24.4 29.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.691 2.26 . . . . 0.0 112.379 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' A' ' 76' ' ' GLY . 2.6 p30 -73.61 -37.44 65.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.836 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.418 ' N ' ' OD1' ' A' ' 75' ' ' ASP . . . 132.52 27.53 0.61 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 48.2 tttm -117.57 144.63 44.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.779 0.323 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.605 HG13 ' O ' ' A' ' 71' ' ' ILE . 39.8 t -132.86 111.08 16.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.156 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -82.42 158.79 23.14 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -133.15 107.85 8.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.495 ' O ' HG23 ' A' ' 68' ' ' THR . 14.7 mt -106.33 153.78 21.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 83' ' ' MET . 37.3 m-85 -132.62 163.56 28.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 82' ' ' PHE . 12.6 ttt -35.32 120.49 0.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 118.57 -36.61 3.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.502 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.67 165.09 6.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.798 0.332 . . . . 0.0 110.932 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 10.5 p -132.63 153.36 51.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 27.8 p90 -161.76 157.32 24.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.557 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 131.94 -95.23 0.3 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.441 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 9.0 pt -134.21 168.27 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 111.181 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -94.33 159.52 33.77 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.504 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.83 2.92 3.13 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 66.3 p -100.03 136.38 40.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.139 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.723 HD21 ' CE3' ' A' ' 120' ' ' TRP . 94.8 mt -40.69 -32.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.914 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 -51.06 124.91 12.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -83.66 172.99 11.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -152.7 162.32 41.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.941 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -121.0 134.49 55.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.903 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.6 tpt -60.25 129.39 41.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.881 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -110.52 39.2 2.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.34 -178.01 45.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 77.2 mt -116.7 125.78 73.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.847 0.356 . . . . 0.0 111.144 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.1 t -97.99 141.32 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.135 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -150.91 130.85 13.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.951 HG23 HD11 ' A' ' 51' ' ' ILE . 74.1 p -60.15 155.49 17.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -104.54 -26.57 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.931 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 12.2 m -133.7 170.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.106 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.449 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -85.44 175.39 8.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 54.21 43.25 30.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 7.3 m -88.28 124.17 33.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -98.58 149.71 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.885 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 70.7 m-85 -153.52 174.07 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.708 HG21 ' SD ' ' A' ' 39' ' ' MET . 6.4 p -145.78 137.72 20.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.531 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -114.41 125.69 54.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.554 HD13 HD22 ' A' ' 35' ' ' LEU . 71.4 mt -125.41 128.63 72.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.07 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.98 147.01 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.093 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -60.34 -58.38 8.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -41.72 -60.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.03 -25.44 66.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.1 t80 -77.31 -19.01 57.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.99 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.723 ' CE3' HD21 ' A' ' 93' ' ' LEU . 48.0 t90 -109.43 1.62 20.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.941 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.3 mtp180 -103.81 -11.53 17.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.838 HG22 HG13 ' A' ' 31' ' ' VAL . 71.2 mt -103.37 -63.82 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.476 ' HG ' HG11 ' A' ' 31' ' ' VAL . 4.3 mp -55.12 -44.74 75.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 27.0 m-80 -81.24 -175.94 5.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -111.49 65.99 0.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 127' ' ' GLU . 76.1 t -82.98 157.3 3.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.11 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.494 ' N ' HG12 ' A' ' 126' ' ' VAL . 27.7 mt-10 -36.35 -57.88 0.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.6 mmtt -80.72 111.22 16.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 26.6 m -59.11 -56.6 20.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -117.25 168.09 12.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.515 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.78 52.06 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.75 2.3 . . . . 0.0 112.32 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 37.8 m -87.28 104.18 16.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 77.4 p -125.01 90.13 3.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.843 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.49 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.6 p -144.55 177.26 8.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.909 0.385 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.8 m -40.1 -61.93 0.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.827 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.98 -158.68 18.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.528 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -76.91 170.49 16.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.872 0.368 . . . . 0.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -112.61 105.05 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.842 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.61 74.24 1.01 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -54.23 -53.9 47.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.836 0.35 . . . . 0.0 110.855 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -83.1 51.7 2.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -53.99 -49.95 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 52.6 mt -52.39 -51.31 33.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -52.95 -30.55 35.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -77.26 -24.32 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 17' ' ' PHE . 3.9 mt -84.61 -61.74 1.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.463 HD21 ' CA ' ' A' ' 33' ' ' ARG . 64.1 mt -34.22 -58.65 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.867 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -45.11 -42.3 8.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.9 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.7 t80 -74.24 -38.08 63.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.417 ' HG2' ' CE2' ' A' ' 24' ' ' PHE . 35.0 mtp -71.82 -11.97 61.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -84.9 -15.4 44.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -100.11 -2.41 34.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.9 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 40.1 mt -102.69 143.04 25.81 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.619 0.723 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -43.5 2.65 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.716 2.278 . . . . 0.0 112.307 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.37 -21.43 66.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.127 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.417 ' CE2' ' HG2' ' A' ' 18' ' ' MET . 9.2 m-85 -101.73 -22.19 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.99 -32.15 59.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.079 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -46.45 -50.85 16.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.48 165.94 15.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.816 HG23 HG23 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -74.27 157.25 36.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.153 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.44 -46.82 66.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 81.4 p -45.16 -34.59 2.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.819 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.816 HG23 HG23 ' A' ' 28' ' ' THR . 89.4 t -69.78 -38.47 76.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.682 ' HA ' HD12 ' A' ' 35' ' ' LEU . 83.4 mtt180 -56.13 -67.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.463 ' CA ' HD21 ' A' ' 15' ' ' LEU . 1.5 tmt_? -46.15 -40.39 11.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -65.42 -44.86 86.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.682 HD12 ' HA ' ' A' ' 32' ' ' ARG . 14.1 mt -53.0 -51.99 59.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.419 ' SG ' HD13 ' A' ' 14' ' ' LEU . 2.1 t -44.9 -21.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.412 ' N ' ' C ' ' A' ' 35' ' ' LEU . 4.9 t -69.61 -40.06 76.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.67 HG11 ' OD2' ' A' ' 118' ' ' ASP . 29.5 m -117.05 24.57 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.942 ' SD ' HD11 ' A' ' 114' ' ' ILE . 4.0 mmm -88.06 127.35 35.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.634 ' O ' HG23 ' A' ' 112' ' ' VAL . 4.7 mm -86.32 160.96 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.097 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.52 ' N ' HG22 ' A' ' 40' ' ' ILE . 57.3 m-85 -124.31 110.71 14.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.838 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -137.47 142.22 41.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.684 HG22 ' HG2' ' A' ' 110' ' ' GLN . 90.4 t -140.72 125.99 19.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 49' ' ' ALA . 92.3 t -95.8 123.92 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.087 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -92.56 -38.3 11.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -81.41 115.55 20.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 172.62 1.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 54.65 22.35 24.95 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -79.75 139.39 37.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 111.069 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.729 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.7 mp -80.06 113.51 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.057 HD11 HG23 ' A' ' 104' ' ' THR . 3.1 mm -77.87 -41.56 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.55 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 32.5 mt -148.93 158.86 44.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -111.86 169.48 8.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -82.7 138.8 33.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.19 44.52 65.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.452 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -125.84 122.29 35.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.765 0.317 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -56.73 104.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.494 ' HB2' HG22 ' A' ' 89' ' ' ILE . 8.3 mt -79.69 121.41 25.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -123.49 23.59 8.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.592 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 45.1 p -157.81 118.31 3.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.461 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 26.2 t90 -71.79 133.06 45.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.592 ' CE1' ' O ' ' A' ' 60' ' ' SER . 44.4 m-85 -110.78 143.18 41.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.461 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 64.2 t -135.36 127.12 46.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 67.8 mt -66.09 107.21 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.647 HD11 ' HB ' ' A' ' 112' ' ' VAL . 78.6 mt -93.57 -33.04 13.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -158.4 147.84 19.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.86 -178.72 51.19 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 81' ' ' LEU . 54.1 m -119.55 136.24 54.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.835 0.35 . . . . 0.0 111.149 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -118.34 133.26 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -110.09 131.02 55.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.547 HG12 HG22 ' A' ' 102' ' ' VAL . 45.4 mt -107.75 138.45 34.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -119.9 133.34 55.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -106.19 146.26 32.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -15.88 37.28 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.7 2.267 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -78.13 -44.0 27.29 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.833 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 140.19 36.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.448 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.3 tptt -132.1 150.98 52.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 ' O ' ' A' ' 71' ' ' ILE . 48.3 t -135.71 109.66 10.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -88.56 139.47 30.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -118.69 115.84 25.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 85' ' ' ASN . 9.8 mt -106.74 159.23 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -139.52 171.03 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 20.0 ttt -39.3 119.69 0.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.542 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 119.0 -43.76 1.52 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.559 ' HB3' HD22 ' A' ' 81' ' ' LEU . 18.5 m120 -64.56 164.65 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.6 m -138.17 158.32 44.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.421 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 36.0 p90 -157.48 158.95 36.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.443 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 132.9 -105.65 0.6 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.534 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.3 pt -121.04 -179.44 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.89 0.376 . . . . 0.0 111.153 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.43 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -107.92 159.43 30.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.553 0.692 . . . . 0.0 111.174 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 2.81 3.18 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.71 2.273 . . . . 0.0 112.337 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 94' ' ' ASP . 77.5 p -91.95 133.15 35.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.136 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.536 HD21 ' CE3' ' A' ' 120' ' ' TRP . 47.1 mt -43.05 -23.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.421 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 1.2 m-20 -52.7 171.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.88 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -126.59 141.11 51.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.43 ' OE1' ' N ' ' A' ' 90' ' ' THR . 0.5 OUTLIER -127.36 157.2 40.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.908 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -121.86 125.46 46.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.919 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -44.79 134.65 5.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.4 m-70 -110.96 25.75 11.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.836 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.87 -158.44 15.97 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 43.6 mt -132.75 124.2 50.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.873 0.368 . . . . 0.0 111.174 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.547 HG22 HG12 ' A' ' 71' ' ' ILE . 21.2 t -95.68 135.29 30.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.135 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.5 mtt180 -146.01 131.28 18.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.057 HG23 HD11 ' A' ' 51' ' ' ILE . 34.1 p -65.32 152.69 43.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -100.78 -24.93 14.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.889 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 16.7 m -134.61 178.8 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.144 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.01 167.84 10.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 15.3 t0 67.21 33.48 5.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.824 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 111' ' ' PHE . 8.6 m -79.7 139.17 37.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.684 ' HG2' HG22 ' A' ' 43' ' ' VAL . 52.6 mt-30 -112.26 131.94 55.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 109' ' ' CYS . 51.9 m-85 -138.75 154.7 48.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.647 ' HB ' HD11 ' A' ' 65' ' ' LEU . 7.3 p -126.26 141.51 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.427 ' C ' HG13 ' A' ' 114' ' ' ILE . 94.3 m -116.22 150.13 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.942 HD11 ' SD ' ' A' ' 39' ' ' MET . 63.3 mt -146.11 125.41 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.97 137.99 56.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 119' ' ' TYR . 37.2 tt0 -49.94 -64.99 0.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 24.2 mm-40 -40.22 -58.27 1.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.67 ' OD2' HG11 ' A' ' 38' ' ' VAL . 2.3 m-20 -61.25 -26.81 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.4 t80 -75.35 -26.99 59.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.977 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.549 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 64.3 t90 -101.44 6.61 42.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.6 mtm180 -100.37 -22.26 15.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.595 ' CG2' HG13 ' A' ' 31' ' ' VAL . 55.2 mt -96.56 -71.63 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 123' ' ' LEU . 5.1 mp -44.2 -43.71 7.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.5 m-80 -74.87 -175.06 2.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -120.67 49.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.815 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.9 p -90.64 -13.85 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -130.34 157.92 41.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -123.42 40.37 3.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 3.1 m -166.95 168.68 13.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.84 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -107.25 144.93 15.98 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 88.8 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.632 2.221 . . . . 0.0 112.368 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.9 m -57.46 140.59 50.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 41.6 p -136.51 142.51 43.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.478 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 m -130.64 153.23 49.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.874 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -108.15 143.6 36.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.09 -145.34 37.77 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.486 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -148.9 129.56 14.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.856 0.36 . . . . 0.0 110.879 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 t -77.55 88.23 3.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.806 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.13 -156.82 7.34 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -131.25 -54.96 1.03 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.798 0.332 . . . . 0.0 110.84 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.06 43.18 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -48.81 -44.02 38.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 91.2 mt -58.03 -38.13 65.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -64.17 -30.2 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -82.38 -23.01 35.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.931 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' SG ' ' A' ' 36' ' ' CYS . 33.2 tp -86.41 -52.0 5.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.6 mt -43.92 -58.18 2.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -40.59 -35.29 0.45 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.574 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -80.5 -41.8 23.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.524 ' HG2' ' CG ' ' A' ' 24' ' ' PHE . 21.9 mtp -65.96 -12.45 54.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.923 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -82.71 -42.41 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.401 ' CG ' ' O ' ' A' ' 17' ' ' PHE . 9.0 pt20 -66.64 -25.42 66.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.587 HD22 ' HA2' ' A' ' 84' ' ' GLY . 7.5 mt -79.72 141.05 55.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.631 0.729 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 -50.95 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.713 2.275 . . . . 0.0 112.372 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.91 -38.3 67.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.524 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 23.6 m-85 -82.6 -28.71 30.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -74.78 -30.87 61.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.057 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -41.0 -38.81 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.62 -176.83 3.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.634 HG23 ' H ' ' A' ' 30' ' ' SER . 10.2 t -89.76 -178.68 5.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.1 mtp -74.27 -15.21 60.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.634 ' H ' HG23 ' A' ' 28' ' ' THR . 6.3 t -74.62 -28.94 61.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 HG13 HG22 ' A' ' 122' ' ' ILE . 77.6 t -82.23 -40.04 16.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -56.43 -64.22 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttt180 -45.07 -46.75 11.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' HB2' HG21 ' A' ' 122' ' ' ILE . 35.4 mm-40 -57.67 -43.21 84.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.814 HD22 HD13 ' A' ' 114' ' ' ILE . 20.8 mt -62.13 -49.64 75.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' HD23 ' A' ' 14' ' ' LEU . 32.5 t -48.01 -20.68 0.36 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -72.46 -36.43 68.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 118' ' ' ASP . 21.2 m -116.54 25.37 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.486 ' HE1' ' HE3' ' A' ' 18' ' ' MET . 10.6 mtt -88.86 134.8 33.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.687 HD12 ' HB3' ' A' ' 113' ' ' CYS . 6.1 mt -103.14 134.06 45.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -96.4 120.54 36.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -141.07 143.53 34.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.567 HG22 ' HG2' ' A' ' 110' ' ' GLN . 59.8 t -133.46 134.49 56.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.1 t -101.65 123.96 55.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -94.87 -44.41 7.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.463 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 42.2 mt-30 -74.62 100.36 3.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.0 164.04 0.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.15 20.14 53.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.463 ' HB2' ' O ' ' A' ' 46' ' ' GLN . . . -74.5 149.17 40.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.737 0.303 . . . . 0.0 111.11 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.5 mp -85.44 119.93 34.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.156 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.947 HD11 HG23 ' A' ' 104' ' ' THR . 3.3 mm -84.81 -41.77 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 51' ' ' ILE . 45.9 mt -146.16 158.5 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -117.13 150.11 39.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.72 121.85 15.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.824 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 94.37 16.49 43.16 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.531 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -94.65 114.41 26.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.919 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -54.05 92.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 89' ' ' ILE . 16.9 mt -62.44 128.73 37.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.5 m-20 -133.51 12.07 4.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.854 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 46.6 m -149.02 139.55 22.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.888 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.651 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 25.1 t90 -85.33 134.73 34.09 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -118.02 137.41 52.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.49 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 60.4 t -133.22 125.62 51.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.114 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.4 HD11 ' CG2' ' A' ' 69' ' ' VAL . 20.0 mt -66.55 117.69 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.099 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.587 HD11 ' HB ' ' A' ' 112' ' ' VAL . 67.6 mt -98.22 -35.88 10.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -156.51 143.82 19.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.88 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.73 -173.05 30.45 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.438 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.6 m -128.95 134.7 48.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.879 0.371 . . . . 0.0 111.107 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG12 HG22 ' A' ' 104' ' ' THR . 16.2 m -120.62 140.42 44.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -111.67 147.48 35.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.67 HD11 HD11 ' A' ' 81' ' ' LEU . 45.7 mt -126.0 143.52 39.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.3 m -128.98 134.36 48.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.84 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . 0.441 ' CD2' ' HE2' ' A' ' 77' ' ' LYS . 93.3 m-70 -100.99 148.44 35.08 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -12.89 33.69 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.714 2.276 . . . . 0.0 112.311 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -83.34 -44.71 14.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.21 41.71 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.441 ' HE2' ' CD2' ' A' ' 73' ' ' HIS . 24.7 ttpt -133.42 159.79 39.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.891 0.377 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.532 HG13 ' O ' ' A' ' 71' ' ' ILE . 58.5 t -144.24 117.11 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.149 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -91.56 154.72 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.851 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -129.83 109.26 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.67 HD11 HD11 ' A' ' 71' ' ' ILE . 6.5 mt -103.76 158.19 16.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.405 ' O ' ' C ' ' A' ' 83' ' ' MET . 63.2 m-85 -140.37 164.74 29.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.405 ' C ' ' O ' ' A' ' 82' ' ' PHE . 11.5 ttt -37.68 118.62 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.587 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 117.31 -33.14 5.13 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.495 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.401 ' HB3' HD22 ' A' ' 81' ' ' LEU . 5.2 m120 -61.41 -179.39 0.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.366 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 53.8 p -152.08 148.36 27.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -158.63 148.63 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 143.07 -115.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.527 HG23 ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -109.91 -175.91 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.919 0.39 . . . . 0.0 111.11 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -109.22 158.96 33.0 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.592 0.71 . . . . 0.0 111.126 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 2.65 3.33 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.4 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -92.97 146.5 23.58 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.608 HD21 ' CE3' ' A' ' 120' ' ' TRP . 9.7 mt -52.0 -24.73 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -64.59 136.13 56.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -79.03 166.85 21.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 -138.22 144.33 40.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.78 141.82 46.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.6 tpt -66.06 147.32 53.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.31 15.01 8.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.46 -158.35 10.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.506 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.0 mt -131.84 127.6 58.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.2 t -103.01 135.07 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.119 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.1 mtt180 -146.75 130.82 17.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.947 HG23 HD11 ' A' ' 51' ' ' ILE . 27.2 p -61.01 163.2 6.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -111.61 -25.02 9.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 6.2 m -134.68 -176.33 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -97.84 -178.73 4.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 53.05 30.19 9.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.436 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.7 m -79.17 117.32 20.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.567 ' HG2' HG22 ' A' ' 43' ' ' VAL . 71.4 mt-30 -95.03 141.97 28.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.6 m-85 -143.47 160.18 41.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.587 ' HB ' HD11 ' A' ' 65' ' ' LEU . 8.5 p -126.49 145.81 33.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.687 ' HB3' HD12 ' A' ' 40' ' ' ILE . 1.8 t -119.36 143.75 47.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.814 HD13 HD22 ' A' ' 35' ' ' LEU . 56.2 mt -145.91 120.95 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.172 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.26 154.35 6.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.06 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -62.41 -63.31 1.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 -41.41 -59.75 1.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.871 ' HB3' HG21 ' A' ' 38' ' ' VAL . 71.1 m-20 -55.69 -31.62 62.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.651 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 6.4 t80 -75.97 -15.98 60.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.896 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.608 ' CE3' HD21 ' A' ' 93' ' ' LEU . 43.8 t90 -110.27 1.98 18.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 17.9 mtp180 -105.19 4.76 31.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.455 HG22 HG13 ' A' ' 31' ' ' VAL . 29.1 mt -122.68 -54.49 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.124 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -67.26 -31.69 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.587 ' OD1' ' CD1' ' A' ' 120' ' ' TRP . 3.4 m-80 -75.9 176.11 8.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -100.86 31.98 3.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.433 ' O ' ' C ' ' A' ' 127' ' ' GLU . 4.4 p -77.12 155.54 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 126' ' ' VAL . 8.8 tp10 -34.9 140.82 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -40.59 -32.62 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 74.3 m -38.99 99.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -115.18 -100.55 2.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.476 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -26.21 27.92 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.739 2.293 . . . . 0.0 112.321 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.6 p -87.74 171.44 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 14.1 m -102.95 132.01 49.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -113.72 134.66 54.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.847 0.356 . . . . 0.0 110.844 -179.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -117.2 134.34 54.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.833 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.74 57.44 0.49 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.511 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.5 m -145.85 130.13 17.63 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.832 -179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.7 p -50.22 135.69 20.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.58 78.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -76.88 -44.42 32.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.814 0.34 . . . . 0.0 110.878 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -111.06 36.09 3.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -48.4 63.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.479 HG21 ' HG2' ' A' ' 33' ' ' ARG . 48.3 mt -61.02 -62.76 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -38.19 -56.56 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -52.25 -40.29 61.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 11' ' ' ILE . 32.4 tp -69.02 -44.1 73.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD21 ' HA ' ' A' ' 33' ' ' ARG . 84.1 mt -50.32 -45.23 54.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.938 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -51.4 -47.91 62.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.549 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.0 t80 -60.14 -57.98 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.566 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 13.7 mtp -44.25 -40.28 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -52.78 -38.48 61.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -60.66 -48.04 83.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.549 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 16.4 mt -65.64 138.94 96.89 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.553 0.692 . . . . 0.0 110.929 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -41.0 4.62 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.358 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.9 -20.02 65.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 4.5 m-85 -99.64 -36.56 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.88 -30.67 70.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.081 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -41.57 -35.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.89 164.09 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.883 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.3 t -79.73 156.49 27.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.105 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.425 ' O ' ' C ' ' A' ' 30' ' ' SER . 4.1 mmt -38.03 -54.8 1.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 29' ' ' MET . 53.0 m -35.66 -64.17 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.445 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 54.2 t -46.71 -54.09 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.133 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' LEU . 73.1 mtt180 -48.16 -72.3 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.826 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.542 ' HA ' HD21 ' A' ' 15' ' ' LEU . 1.2 tmt_? -38.38 -47.41 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -57.55 -43.48 84.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.937 HD22 HD13 ' A' ' 114' ' ' ILE . 12.1 mt -61.6 -43.39 98.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 57.8 m -54.63 -18.89 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 p -71.63 -33.2 68.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.592 HG21 ' HB3' ' A' ' 118' ' ' ASP . 18.4 m -120.9 24.16 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.084 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.43 ' HE1' ' HE3' ' A' ' 18' ' ' MET . 5.1 mtt -82.6 127.91 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.47 ' O ' HG23 ' A' ' 112' ' ' VAL . 87.7 mt -93.65 146.35 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 57.9 m-85 -105.14 122.28 45.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -139.44 149.94 44.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 66.0 t -149.27 126.81 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.29 124.25 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.106 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -90.4 -43.72 10.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -87.28 120.34 28.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.74 173.19 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.079 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.39 11.36 20.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.488 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.06 140.38 45.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.803 0.335 . . . . 0.0 111.102 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.72 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -77.51 129.44 37.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.129 HD11 HG23 ' A' ' 104' ' ' THR . 2.7 mm -96.41 -38.06 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.4 mt -151.27 128.42 11.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.96 153.43 20.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -65.95 135.02 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.86 31.78 38.69 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.514 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -112.41 113.16 25.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.753 0.311 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -53.59 101.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.638 ' HB2' HG22 ' A' ' 89' ' ' ILE . 3.8 mt -75.14 130.67 39.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.12 14.21 4.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 69.7 m -147.6 139.56 24.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.481 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 26.1 t90 -85.62 137.27 32.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.501 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 28.5 m-85 -113.73 149.72 34.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.902 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.481 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 94.3 t -147.84 116.44 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.488 HD12 ' HB2' ' A' ' 85' ' ' ASN . 17.4 mt -57.19 116.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD11 ' HB ' ' A' ' 112' ' ' VAL . 93.0 mt -97.19 -28.37 14.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.934 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -166.14 144.95 5.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 93.76 -158.29 23.31 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.475 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.425 HG23 ' O ' ' A' ' 81' ' ' LEU . 88.1 m -141.45 140.35 33.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.4 m -123.07 131.58 72.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -104.23 131.4 51.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.735 ' O ' HG13 ' A' ' 78' ' ' VAL . 62.6 mt -108.24 143.39 18.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 t -129.64 140.66 51.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.833 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -113.21 149.88 42.14 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.719 . . . . 0.0 110.853 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -13.37 34.4 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.722 2.281 . . . . 0.0 112.296 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.84 -41.71 20.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.73 32.06 0.22 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.493 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -125.49 148.79 48.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.86 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.735 HG13 ' O ' ' A' ' 71' ' ' ILE . 38.3 t -136.88 107.01 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -77.3 165.19 24.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -138.74 115.18 10.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.45 HD11 HD11 ' A' ' 71' ' ' ILE . 14.8 mt -113.23 154.29 26.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -137.53 171.34 14.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 23.1 ttt -42.71 114.92 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.418 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 123.04 -35.2 3.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.488 ' HB2' HD12 ' A' ' 64' ' ' ILE . 7.0 m120 -61.29 174.7 0.66 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 6.3 p -144.7 138.18 27.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.815 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 p90 -146.44 162.68 37.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 130.92 -118.2 2.38 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.638 HG22 ' HB2' ' A' ' 58' ' ' LEU . 9.9 pt -113.11 172.92 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.899 0.38 . . . . 0.0 111.152 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 3.2 p -93.36 156.86 39.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.596 0.712 . . . . 0.0 111.139 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.1 Cg_endo -69.75 2.97 3.05 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.698 2.265 . . . . 0.0 112.355 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.7 p -98.22 135.34 39.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.492 HD21 ' CE3' ' A' ' 120' ' ' TRP . 35.8 mt -40.14 -34.1 0.28 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.502 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 34.5 m-20 -46.19 146.92 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.415 ' HB2' ' NZ ' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -103.45 156.25 17.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.502 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 2.7 mp0 -138.29 173.15 11.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 12.4 m-85 -130.58 131.49 45.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.932 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.4 tpt -49.31 104.3 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -82.35 40.91 0.67 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 164.64 -167.11 38.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 70.1 mt -125.04 133.2 70.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 23.3 t -107.87 136.25 43.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -142.49 130.96 22.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.868 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.129 HG23 HD11 ' A' ' 51' ' ' ILE . 36.8 p -57.77 161.38 3.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.3 mmmm -112.15 -26.18 8.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.51 176.93 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -94.51 173.54 7.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.34 28.4 16.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.816 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.458 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 17.7 m -76.82 131.26 38.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.856 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -103.2 140.67 37.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.458 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 72.8 m-85 -146.27 155.99 43.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.493 ' HB ' HD11 ' A' ' 65' ' ' LEU . 13.4 p -125.71 149.82 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.501 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 3.3 m -128.44 137.56 51.89 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.937 HD13 HD22 ' A' ' 35' ' ' LEU . 42.4 mt -135.39 120.12 27.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.098 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.6 147.72 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -59.03 -57.53 12.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 67.4 mm-40 -46.12 -60.88 2.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.592 ' HB3' HG21 ' A' ' 38' ' ' VAL . 60.7 m-20 -54.74 -35.83 64.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 14.2 t80 -68.83 -19.7 64.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.919 -179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.564 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 21.3 t90 -110.52 0.42 17.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 46.6 mtp180 -103.06 1.54 33.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.445 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 57.0 mt -115.86 -56.42 4.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -64.15 -49.22 72.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.564 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 11.7 m-80 -63.66 177.27 0.74 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -110.59 56.02 0.64 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.801 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.441 HG13 ' HB2' ' A' ' 129' ' ' SER . 6.4 p -91.42 137.17 22.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -84.96 152.45 23.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp 61.62 48.83 5.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.441 ' HB2' HG13 ' A' ' 126' ' ' VAL . 2.6 m -156.07 152.49 28.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.82 145.88 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 141.18 44.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.363 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.5 t -109.9 152.76 25.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.8 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.2 t -113.74 103.24 11.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.852 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.465 -179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 m -71.68 91.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.915 0.388 . . . . 0.0 110.854 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -63.59 158.47 21.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.0 -146.01 6.45 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -61.78 141.25 58.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.919 0.39 . . . . 0.0 110.821 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.6 p -138.74 122.97 18.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.21 -153.75 20.6 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.461 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -127.88 -50.74 1.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.852 0.358 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -114.02 74.17 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -64.02 -50.79 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.9 mt -48.26 -54.35 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -47.41 -40.34 17.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.877 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -73.64 -38.18 65.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' O ' ' C ' ' A' ' 15' ' ' LEU . 8.2 mt -67.48 -62.31 1.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 ' HB3' ' HE1' ' A' ' 29' ' ' MET . 70.2 mt -34.36 -61.06 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.965 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -50.01 -44.97 51.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.723 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 8.4 t80 -65.14 -61.53 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.51 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 16.2 mtp -41.25 -30.33 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.469 ' CG ' HH12 ' A' ' 32' ' ' ARG . 18.5 t-80 -63.88 -43.52 95.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -58.12 -42.22 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.723 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 7.3 mt -72.63 138.91 80.44 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -46.3 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.673 2.249 . . . . 0.0 112.319 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.65 -35.29 60.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 7.0 m-85 -84.43 -20.21 32.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -79.82 -28.26 40.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -47.43 -40.92 19.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.96 -177.25 5.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.859 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.821 HG22 HG23 ' A' ' 31' ' ' VAL . 6.0 t -94.69 145.37 24.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.508 ' HE1' ' HB3' ' A' ' 15' ' ' LEU . 11.2 tpt -36.73 -43.56 0.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.9 t -53.33 -57.78 9.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.821 HG23 HG22 ' A' ' 28' ' ' THR . 93.8 t -48.35 -41.73 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.112 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.483 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 84.0 mtt180 -48.6 -72.91 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -39.9 -53.26 2.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' HB2' HG21 ' A' ' 122' ' ' ILE . 63.2 mm-40 -47.61 -40.19 18.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.785 HD22 HD13 ' A' ' 114' ' ' ILE . 22.8 mt -67.9 -47.14 69.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -49.5 -26.33 3.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 m -74.73 -32.96 62.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.1 m -112.64 17.13 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.164 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HG2' HD11 ' A' ' 114' ' ' ILE . 9.0 mtt -81.38 129.22 34.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.52 ' O ' HG23 ' A' ' 112' ' ' VAL . 51.0 mt -94.56 143.74 11.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.104 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -99.26 120.36 39.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -142.07 137.43 31.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 72.9 t -139.26 137.15 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.476 HG11 ' HB3' ' A' ' 49' ' ' ALA . 52.6 t -102.81 123.67 56.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -89.87 -42.17 11.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -86.32 125.39 33.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 170.38 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.029 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.403 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 60.45 12.54 26.09 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.517 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -67.11 138.38 57.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.731 0.301 . . . . 0.0 111.161 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.725 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -78.37 119.21 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 104' ' ' THR . 1.9 mm -84.85 -42.14 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.7 mt -148.16 128.09 13.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -90.49 146.66 23.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.409 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 8.9 p-10 -59.0 106.59 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 107.42 23.35 6.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' A' ' 58' ' ' LEU . 63.4 tt0 -99.26 105.82 17.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -44.46 95.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.617 HD13 ' O ' ' A' ' 88' ' ' GLY . 3.3 mt -68.65 119.78 13.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.901 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -126.66 -5.21 6.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.0 m -127.89 143.31 51.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -87.17 125.43 34.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -107.61 134.93 49.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 89.1 t -134.37 127.28 50.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.13 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.0 mt -62.92 112.3 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 67.1 mt -89.52 -43.83 10.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.9 t30 -154.09 130.09 10.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 108.43 -166.79 12.98 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 31.3 m -128.83 148.24 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.108 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.5 m -132.09 138.04 53.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.16 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -111.44 141.15 45.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.446 HD11 ' CD1' ' A' ' 81' ' ' LEU . 37.2 mt -115.77 134.29 59.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.4 m -120.65 140.5 51.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 91.5 m-70 -110.81 151.21 42.76 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 110.898 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -16.76 37.76 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.66 2.24 . . . . 0.0 112.381 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.69 -46.36 31.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 141.63 32.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.468 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -128.55 151.04 49.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 71' ' ' ILE . 39.0 t -137.16 117.83 17.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.142 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -88.02 170.34 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -142.68 112.28 6.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.99 HD22 ' CG ' ' A' ' 85' ' ' ASN . 19.4 mt -111.77 153.13 26.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -133.0 170.97 14.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 21.1 ttt -41.48 113.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 129.48 -34.06 2.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.99 ' CG ' HD22 ' A' ' 81' ' ' LEU . 3.1 t30 -63.91 175.37 1.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.594 ' H ' ' ND2' ' A' ' 85' ' ' ASN . 85.5 p -147.41 145.14 29.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.3 p90 -162.14 149.66 14.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.617 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 145.94 -87.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.508 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG22 ' HB2' ' A' ' 58' ' ' LEU . 6.8 pt -140.67 164.67 21.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.104 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 59.9 p -86.67 151.84 53.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.574 0.702 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.77 2.77 3.24 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.337 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 94' ' ' ASP . 12.3 p -99.72 138.3 37.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.165 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.499 ' HG ' ' CE2' ' A' ' 120' ' ' TRP . 11.0 mt -36.97 -31.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 92' ' ' THR . 5.1 m-20 -53.48 143.31 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.888 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 32.6 mtpt -94.29 -175.43 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.541 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -169.9 160.93 8.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -121.89 153.76 38.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.407 ' SD ' ' N ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -72.15 117.96 14.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.859 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.407 ' N ' ' SD ' ' A' ' 98' ' ' MET . 4.5 m-70 -95.83 46.37 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.405 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 166.75 -159.16 32.44 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.49 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 92.5 mt -135.16 118.04 23.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 111.17 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 15.0 t -93.47 141.19 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.403 HH21 ' CA ' ' A' ' 48' ' ' GLY . 9.4 mtp180 -149.8 135.22 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.872 HG23 HD11 ' A' ' 51' ' ' ILE . 18.1 p -64.53 161.4 17.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.14 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -112.43 -13.37 13.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 20.1 m -144.48 -179.72 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.184 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.23 162.36 12.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t70 64.87 48.16 2.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.496 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.0 m -95.62 132.7 40.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -97.55 140.51 31.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 94.8 m-85 -144.02 162.15 36.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.8 p -134.45 142.83 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . . . . . . . . . 55.6 m -123.89 129.57 51.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.785 HD13 HD22 ' A' ' 35' ' ' LEU . 53.2 mt -126.25 120.46 56.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.55 145.59 6.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -55.1 -65.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.947 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -38.06 -68.55 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -49.97 -32.97 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.6 t80 -71.1 -34.74 71.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.936 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.541 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 23.2 t90 -95.32 -0.69 52.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.92 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -99.3 -2.83 35.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.754 HG22 HG13 ' A' ' 31' ' ' VAL . 76.5 mt -111.54 -50.55 6.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -69.53 -25.02 63.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 120' ' ' TRP . 2.6 m-80 -91.9 -175.34 4.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.909 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -120.25 69.73 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 4.4 t -85.72 -8.5 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 29.6 tp10 44.81 52.36 8.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -121.99 34.07 5.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.9 m 58.82 54.09 5.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 56.79 -157.86 10.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 101.14 0.87 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.724 2.282 . . . . 0.0 112.349 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 41.7 m -126.23 112.73 16.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.825 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 30.7 t -126.82 84.74 2.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.502 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -87.44 122.42 31.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 87.7 p -67.23 -45.99 75.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.82 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 90.45 -80.57 1.39 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.7 t -92.87 90.64 7.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.842 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -77.67 119.97 21.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.37 -155.56 1.06 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -89.77 -48.76 7.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -128.42 86.51 2.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -59.26 -58.31 9.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.919 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.443 HD13 ' SG ' ' A' ' 36' ' ' CYS . 5.4 mm -46.25 -45.59 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -67.29 -41.5 85.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -70.67 -18.01 62.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 7.6 tp -93.72 -40.72 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.471 HD22 ' SD ' ' A' ' 29' ' ' MET . 19.2 mt -60.21 -55.3 35.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.948 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -42.35 -36.28 1.23 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.649 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.5 t80 -69.83 -52.12 27.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.481 ' HE2' ' HB3' ' A' ' 32' ' ' ARG . 53.5 mtp -51.88 -28.54 16.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.7 t60 -67.2 -29.2 68.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.7 mt-30 -69.54 -45.57 68.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 35.5 mt -70.89 140.27 86.1 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.588 0.709 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.69 -39.28 6.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.72 2.28 . . . . 0.0 112.336 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.05 -21.04 63.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.565 ' CZ ' ' HE1' ' A' ' 39' ' ' MET . 9.2 m-85 -102.42 -40.13 6.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -60.98 -26.65 67.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.096 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -49.03 -33.59 11.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -107.18 166.9 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.2 t -74.73 178.73 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.189 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.471 ' SD ' HD22 ' A' ' 15' ' ' LEU . 6.5 tpp -64.0 -54.29 36.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.1 t -38.53 -59.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.819 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 12.5 t -50.14 -45.09 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.481 ' HB3' ' HE2' ' A' ' 18' ' ' MET . 71.8 mtt180 -57.77 -63.93 1.08 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.7 -51.6 2.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' OE2' ' CG ' ' A' ' 131' ' ' PRO . 0.2 OUTLIER -54.26 -49.87 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.747 HD22 HD13 ' A' ' 114' ' ' ILE . 20.2 mt -51.02 -49.73 59.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.941 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.49 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 9.3 t -47.19 -24.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.856 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.6 t -68.38 -39.33 81.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.832 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.519 HG23 HG23 ' A' ' 114' ' ' ILE . 32.1 m -110.92 23.47 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.121 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.565 ' HE1' ' CZ ' ' A' ' 24' ' ' PHE . 9.6 mtt -87.55 121.16 29.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.426 ' N ' HD13 ' A' ' 40' ' ' ILE . 4.9 mm -89.64 148.11 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -108.87 109.8 20.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -140.89 137.71 33.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -138.83 140.43 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.163 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.668 HG11 ' HB3' ' A' ' 49' ' ' ALA . 85.3 t -97.31 122.63 49.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -84.42 -39.2 19.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -90.21 119.09 30.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.11 170.28 2.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 59.76 19.32 49.01 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.487 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.668 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -76.31 144.9 39.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.782 0.325 . . . . 0.0 111.103 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.708 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.6 mp -82.49 123.44 38.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.872 HD11 HG23 ' A' ' 104' ' ' THR . 3.4 mm -92.32 -40.35 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.2 mt -146.3 151.9 38.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -111.31 143.86 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 54' ' ' ASP . 2.8 p-10 -64.18 110.03 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 108.24 21.29 7.76 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.533 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -104.11 119.39 38.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.809 0.337 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.74 100.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.568 ' HB2' HG22 ' A' ' 89' ' ' ILE . 3.9 mt -72.49 123.33 22.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 66.2 m-20 -132.54 20.11 4.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.9 m -153.3 134.47 14.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.531 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 23.7 t90 -81.08 134.06 35.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.45 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 36.1 m-85 -112.66 143.52 43.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.927 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 87.7 t -140.21 118.32 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.6 mt -58.31 113.46 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.2 mt -89.25 -42.58 11.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 25.5 t30 -155.53 133.81 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.866 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 104.3 -178.93 24.62 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.451 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.569 HG23 ' O ' ' A' ' 81' ' ' LEU . 94.4 m -120.43 133.02 55.49 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.431 HG11 ' CE1' ' A' ' 111' ' ' PHE . 27.9 m -113.81 139.07 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -112.93 136.77 52.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.514 ' O ' HG13 ' A' ' 78' ' ' VAL . 25.0 mt -115.26 142.97 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.7 m -128.63 136.42 50.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 -106.99 152.03 40.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.637 0.732 . . . . 0.0 110.815 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -16.11 37.36 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.361 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -77.95 -46.81 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.58 32.79 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.459 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 tptp -125.16 150.8 46.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 71' ' ' ILE . 61.8 t -135.99 110.94 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -87.71 142.04 28.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -120.64 115.42 23.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 16.1 mt -109.8 155.95 20.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -133.46 167.5 20.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 12.9 ttt -41.72 118.79 1.15 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.489 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 120.34 -32.11 5.0 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.495 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -66.76 167.43 11.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 88.4 p -133.51 149.41 51.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 5.9 p90 -162.41 154.65 19.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.408 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 138.19 -102.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.568 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.3 pt -127.97 177.74 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.925 0.393 . . . . 0.0 111.114 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.8 p -95.69 152.37 39.08 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.641 0.734 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.1 Cg_endo -69.76 2.4 3.56 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 48.9 p -96.08 152.03 18.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.528 HD21 ' CE3' ' A' ' 120' ' ' TRP . 8.5 mt -51.44 -21.83 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.447 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 6.1 t70 -58.74 162.81 3.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 36.8 mtpt -116.93 -175.66 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -173.3 159.96 3.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -119.96 147.0 45.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.1 tpt -64.78 120.85 13.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -95.82 40.95 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.424 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . 167.85 -163.0 36.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 55.3 mt -128.75 129.52 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.437 HG22 HG12 ' A' ' 71' ' ' ILE . 11.6 t -101.78 142.47 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -151.99 130.87 12.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.872 HG23 HD11 ' A' ' 51' ' ' ILE . 67.7 p -59.6 156.2 13.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -103.54 -25.37 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.4 m -137.04 177.9 5.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.78 178.69 6.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 50.75 45.63 26.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.536 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 11.8 m -94.76 119.34 33.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -95.07 143.06 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.536 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 90.0 m-85 -144.12 151.85 40.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 10.6 p -121.06 147.19 25.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.119 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.438 ' C ' HG13 ' A' ' 114' ' ' ILE . 98.6 m -124.23 149.38 46.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.747 HD13 HD22 ' A' ' 35' ' ' LEU . 62.3 mt -146.42 124.65 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.49 145.86 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.478 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -65.21 -64.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -41.6 -34.06 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.897 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.469 ' HA ' ' NE ' ' A' ' 121' ' ' ARG . 20.1 m-20 -87.84 -28.6 21.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.531 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 16.7 t80 -74.16 -9.61 58.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.536 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 23.8 t90 -109.52 -11.23 14.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.943 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.491 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 2.9 ptp180 -93.4 -23.23 18.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.76 -62.25 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -56.77 -64.92 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.536 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.1 m-80 -54.34 -175.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -120.11 47.68 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 121' ' ' ARG . 2.4 p -85.52 108.07 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -69.86 71.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -114.84 -52.03 2.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 m -173.24 -179.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.76 -172.63 27.19 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.458 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.448 ' CG ' ' OE2' ' A' ' 34' ' ' GLU . 53.1 Cg_endo -69.78 87.09 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 0.0 112.303 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.7 m -68.83 101.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.8 m -156.37 122.24 4.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.852 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.496 179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.5 t -60.53 117.31 5.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.381 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -67.98 92.75 0.39 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.833 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.98 145.76 40.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 m -97.15 97.52 9.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.818 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -76.47 173.49 11.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.795 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.83 -69.29 0.47 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.0 t0 -59.92 -59.76 4.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.875 0.369 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.12 82.87 1.99 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -63.71 -60.17 3.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.5 mm -42.27 -45.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -65.85 -39.42 90.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.5 mm-40 -66.51 -33.53 75.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' SG ' ' A' ' 36' ' ' CYS . 14.0 tp -73.95 -42.44 60.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLU . 22.7 mt -59.58 -64.93 0.77 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 5.5 pt-20 -36.09 -37.96 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.9 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.475 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -73.33 -55.32 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 22.5 mtp -46.23 -44.61 16.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -54.27 -34.01 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 78.9 mm-40 -63.46 -48.2 78.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.475 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 23.4 mt -67.75 143.05 96.35 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.589 0.709 . . . . 0.0 110.891 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -42.89 2.98 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.678 2.252 . . . . 0.0 112.346 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.27 -36.43 61.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -91.08 -40.03 11.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.54 -33.76 15.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.076 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -54.19 -48.71 70.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.24 167.97 13.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.5 HG22 HG23 ' A' ' 31' ' ' VAL . 8.4 t -92.41 149.98 21.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.129 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.438 ' C ' ' O ' ' A' ' 28' ' ' THR . 0.0 OUTLIER -34.2 -60.51 0.4 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.7 m -41.25 -64.07 0.6 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 28' ' ' THR . 42.8 t -40.83 -58.82 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' VAL . 54.8 mtt180 -36.96 -69.12 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -44.58 -54.46 6.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -49.23 -51.13 35.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.91 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.687 HD22 HD13 ' A' ' 114' ' ' ILE . 10.2 mt -50.67 -50.15 55.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' SG ' HD23 ' A' ' 14' ' ' LEU . 50.8 t -50.35 -28.23 7.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.8 t -68.11 -30.08 69.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.905 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.531 HG21 ' HB3' ' A' ' 118' ' ' ASP . 27.9 m -120.84 25.26 4.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.095 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.471 ' SD ' HG21 ' A' ' 112' ' ' VAL . 7.5 mtt -89.55 153.84 20.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.672 HD12 ' HB2' ' A' ' 113' ' ' CYS . 62.8 mt -114.61 145.55 20.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -106.08 115.98 31.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 -137.85 139.07 39.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 110' ' ' GLN . 49.4 t -137.69 125.44 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.447 HG11 ' HB3' ' A' ' 49' ' ' ALA . 60.4 t -91.2 123.2 43.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -94.72 -44.05 7.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -83.3 104.8 13.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.13 166.0 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.408 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 62.31 18.41 58.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.447 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -76.68 140.85 41.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.799 0.333 . . . . 0.0 111.103 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.723 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.6 mp -75.96 122.17 29.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 104' ' ' THR . 4.5 mm -86.47 -37.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.505 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 48.7 mt -153.76 146.7 24.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -99.86 149.36 23.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.444 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 1.2 p-10 -70.35 121.39 17.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 89.1 41.64 5.82 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.475 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -125.79 108.57 11.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.747 0.308 . . . . 0.0 110.93 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.489 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 39.2 tt0 -38.49 109.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.3 mt -80.31 121.19 25.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 p30 -128.71 31.11 5.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 34.8 p -166.5 136.53 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.421 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 24.8 t90 -85.89 141.71 29.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.562 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 24.3 m-85 -119.13 142.45 47.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.421 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 95.4 t -137.67 129.31 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 42.7 mt -69.56 116.82 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.49 HD11 ' HB ' ' A' ' 112' ' ' VAL . 23.6 mt -98.84 -33.91 10.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -161.82 132.89 5.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.84 -178.0 25.73 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.466 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 23.7 m -122.35 133.35 54.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.145 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.0 m -109.39 146.73 14.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.125 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -117.25 136.65 52.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.702 ' O ' HG13 ' A' ' 78' ' ' VAL . 44.6 mt -119.5 137.81 52.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.127 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 2.1 t -129.18 136.9 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.826 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -107.02 152.47 41.02 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.65 0.738 . . . . 0.0 110.806 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -16.54 37.48 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.644 2.229 . . . . 0.0 112.375 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.31 -44.41 29.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.79 33.83 0.18 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -127.69 150.03 49.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.702 HG13 ' O ' ' A' ' 71' ' ' ILE . 60.1 t -136.73 118.61 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -86.87 166.69 14.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.5 113.36 8.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 85' ' ' ASN . 7.4 mt -110.08 156.53 20.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' MET . 55.3 m-85 -138.11 163.86 30.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.946 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' PHE . 6.2 ttt -35.03 120.08 0.5 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.406 ' HA2' HD13 ' A' ' 21' ' ' LEU . . . 117.25 -43.0 1.72 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.508 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.451 ' HB3' HD22 ' A' ' 81' ' ' LEU . 10.0 m120 -52.49 179.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 0.0 110.885 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 32.2 p -151.79 148.21 27.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 42.5 p90 -153.36 157.3 39.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 132.76 -111.88 1.07 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.7 pt -117.0 -175.76 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 111.141 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.481 ' N ' ' OE1' ' A' ' 96' ' ' GLN . 0.9 OUTLIER -105.02 157.96 33.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.99 3.03 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.716 2.278 . . . . 0.0 112.332 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 94' ' ' ASP . 19.4 p -105.01 137.95 41.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.515 HD21 ' CE3' ' A' ' 120' ' ' TRP . 92.7 mt -36.42 -30.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.497 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 77.5 m-20 -40.86 147.52 0.12 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 20.8 mttt -110.18 142.71 41.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 1.4 mp0 -134.11 150.56 51.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.489 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 3.1 m-85 -117.72 147.31 43.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.8 tpt -71.19 140.73 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.906 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.6 m170 -121.66 21.15 10.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.444 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -158.47 -161.92 11.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.408 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 95.9 mt -130.67 130.7 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.7 t -104.91 142.02 19.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.408 HH21 ' CA ' ' A' ' 48' ' ' GLY . 8.2 mtp180 -153.47 132.87 12.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.0 HG23 HD11 ' A' ' 51' ' ' ILE . 28.8 p -64.61 151.45 44.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.1 mmmt -100.01 -19.13 16.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 15.7 m -135.84 -178.85 2.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -104.1 163.73 12.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 17.0 t0 63.77 47.97 3.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 53.1 m -94.68 145.32 24.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 43' ' ' VAL . 77.4 mt-30 -112.34 140.3 47.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -147.97 153.34 38.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.5 p -123.52 144.53 32.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.672 ' HB2' HD12 ' A' ' 40' ' ' ILE . 80.5 m -122.84 136.44 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.687 HD13 HD22 ' A' ' 35' ' ' LEU . 50.6 mt -133.99 125.38 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.186 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -55.35 142.23 32.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.426 ' NE2' ' O ' ' A' ' 92' ' ' THR . 2.6 tp60 -52.73 -66.37 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -38.74 -58.29 1.09 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.531 ' HB3' HG21 ' A' ' 38' ' ' VAL . 67.2 m-20 -59.12 -38.67 80.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.537 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.4 t80 -63.7 -21.91 66.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.625 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 14.5 t90 -107.29 -0.24 22.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 30.2 mmm-85 -97.58 -0.3 46.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 60.8 mt -116.96 -62.95 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.37 -39.09 69.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.625 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.6 m-80 -72.82 175.55 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -109.28 40.73 1.78 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.439 ' H ' HG12 ' A' ' 126' ' ' VAL . 1.0 OUTLIER -63.3 135.23 27.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -45.15 -52.04 9.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -50.24 178.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 37.0 m -123.36 156.9 34.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.847 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -74.09 -85.89 0.26 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.51 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 160.22 50.52 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.728 2.286 . . . . 0.0 112.325 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.3 m 56.03 32.33 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 88.8 p -54.13 131.05 40.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.832 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 -179.956 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.9 m -72.9 -53.06 12.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.379 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 m -112.06 -52.46 2.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.94 131.45 7.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.46 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 m -117.58 114.29 23.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.1 p -169.47 129.79 1.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.895 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.5 -160.97 34.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.512 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -85.64 -21.73 28.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -125.37 55.7 1.39 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.848 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.429 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 12.3 p-10 -65.88 -47.12 75.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.834 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.9 mt -63.54 -53.91 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -47.73 -60.03 2.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -51.97 -37.64 53.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -66.62 -45.93 77.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.55 HD11 ' CG ' ' A' ' 33' ' ' ARG . 84.5 mt -50.31 -53.32 29.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -38.76 -45.2 1.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.83 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.8 t80 -67.11 -44.91 78.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.834 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.436 ' O ' ' CB ' ' A' ' 24' ' ' PHE . 19.1 mmm -53.49 -14.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -86.21 -39.53 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.419 ' HG2' ' O ' ' A' ' 17' ' ' PHE . 0.7 OUTLIER -64.97 -7.27 10.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.85 HD22 ' HA2' ' A' ' 84' ' ' GLY . 30.3 mt -104.15 138.21 19.46 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.67 0.748 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -42.57 3.26 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -27.75 69.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.721 ' HD2' HD12 ' A' ' 21' ' ' LEU . 13.8 m-85 -95.53 -30.95 13.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.18 -39.29 71.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -38.43 -43.96 0.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.906 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.79 157.32 16.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.439 ' OG1' ' N ' ' A' ' 29' ' ' MET . 1.6 t -51.91 175.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.447 ' C ' ' SD ' ' A' ' 29' ' ' MET . 2.3 ppp? -79.36 -16.81 55.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.0 m -68.47 -43.79 76.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.816 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.1 t -61.05 -23.0 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 29' ' ' MET . 86.3 mtt180 -69.15 -67.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.55 ' CG ' HD11 ' A' ' 15' ' ' LEU . 57.3 mtm180 -38.24 -53.85 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -52.64 -50.84 62.39 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.756 HD22 HD13 ' A' ' 114' ' ' ILE . 38.6 mt -56.84 -48.44 78.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 13.5 m -49.94 -21.9 1.36 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 21.6 t -92.54 -25.5 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.844 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.754 HG22 ' HA ' ' A' ' 35' ' ' LEU . 10.2 m -109.42 8.57 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.504 ' HE2' ' HB3' ' A' ' 39' ' ' MET . 0.8 OUTLIER -107.57 130.22 54.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.93 179.893 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 40' ' ' ILE . 3.5 mp -88.72 137.75 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.126 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -91.33 122.22 33.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -143.29 155.79 44.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 109' ' ' CYS . 3.6 p -153.64 131.62 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.555 HG11 ' HB3' ' A' ' 49' ' ' ALA . 94.9 t -91.52 124.93 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.163 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -85.79 -40.88 15.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -86.0 120.7 27.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.58 177.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.16 18.7 3.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -75.42 140.49 42.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.732 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.8 mp -78.56 124.72 37.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.885 HD11 HG23 ' A' ' 104' ' ' THR . 2.5 mm -93.56 -37.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.128 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.423 HD13 HD21 ' A' ' 58' ' ' LEU . 24.9 mt -151.55 152.66 33.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -113.64 159.79 19.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -72.03 125.22 26.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 91.82 29.12 12.26 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -110.35 119.51 39.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.778 0.323 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -61.02 94.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.86 HD13 ' O ' ' A' ' 88' ' ' GLY . 8.7 mt -65.5 126.87 29.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.74 8.12 4.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.548 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 4.9 m -140.9 124.73 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.431 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.3 t90 -76.1 127.71 33.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.548 ' CE1' ' O ' ' A' ' 60' ' ' SER . 16.0 m-85 -105.31 146.15 29.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.497 HG11 ' CE2' ' A' ' 24' ' ' PHE . 70.4 t -138.01 126.62 32.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.423 HD12 ' HB2' ' A' ' 85' ' ' ASN . 37.6 mt -67.94 111.32 2.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.487 HD11 ' HB ' ' A' ' 112' ' ' VAL . 76.5 mt -94.41 -30.68 14.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.942 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -163.08 140.04 7.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.9 -173.29 30.47 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.502 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.634 HG23 ' O ' ' A' ' 81' ' ' LEU . 93.2 m -127.29 138.49 53.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.842 0.354 . . . . 0.0 111.132 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.7 m -122.29 133.38 68.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -107.59 132.35 53.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 78' ' ' VAL . 31.3 mt -109.32 129.65 63.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.162 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.7 t -111.7 143.31 42.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -116.02 144.32 32.59 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -18.44 37.06 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.719 2.279 . . . . 0.0 112.353 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -74.92 -47.92 27.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.18 33.36 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.507 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.8 tttt -131.77 157.24 44.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 71' ' ' ILE . 23.0 t -144.59 111.38 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -86.2 144.07 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -121.78 114.3 20.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.634 ' O ' HG23 ' A' ' 68' ' ' THR . 15.9 mt -108.04 153.97 22.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -130.04 165.99 21.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.0 ttt -38.65 120.56 0.95 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.85 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 117.91 -40.94 2.17 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.489 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.423 ' HB2' HD12 ' A' ' 64' ' ' ILE . 6.5 m120 -59.98 160.68 7.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.328 . . . . 0.0 110.918 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 72.7 p -127.59 160.22 32.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -170.26 159.48 7.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.86 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 134.77 -81.91 0.3 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.553 HG23 ' HB3' ' A' ' 58' ' ' LEU . 5.1 pt -142.35 -178.78 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.904 0.383 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.1 p -101.12 152.58 37.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.546 0.689 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.521 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.78 3.38 2.81 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.644 2.229 . . . . 0.0 112.341 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.496 ' O ' ' NE2' ' A' ' 116' ' ' GLN . 12.3 p -99.16 137.58 37.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.524 HD21 ' CE3' ' A' ' 120' ' ' TRP . 39.9 mt -36.82 -29.97 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.479 ' N ' ' O ' ' A' ' 92' ' ' THR . 37.0 t70 -52.24 163.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 21.6 mttt -113.95 162.41 16.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.457 ' CD ' ' C ' ' A' ' 95' ' ' LYS . 3.6 mp0 -136.16 147.79 47.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -112.68 133.65 54.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.94 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.5 tpt -65.41 124.25 21.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -109.93 38.43 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 179.07 -161.46 27.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.498 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.7 mt -130.42 127.33 62.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.907 0.384 . . . . 0.0 111.087 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.508 HG12 ' CG1' ' A' ' 51' ' ' ILE . 40.7 t -98.62 132.58 43.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.129 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -146.76 130.93 17.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.885 HG23 HD11 ' A' ' 51' ' ' ILE . 49.0 p -61.17 162.67 7.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.109 -179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 6.1 mmmt -108.59 -28.15 9.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 7.7 m -137.45 178.41 4.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.15 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -91.45 176.01 6.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 60.21 26.8 16.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.511 ' O ' HG23 ' A' ' 43' ' ' VAL . 33.0 m -78.4 128.06 33.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.935 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.403 ' O ' ' CD1' ' A' ' 111' ' ' PHE . 39.4 mt-30 -103.21 155.27 18.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.403 ' CD1' ' O ' ' A' ' 110' ' ' GLN . 74.4 m-85 -156.94 166.73 32.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.487 ' HB ' HD11 ' A' ' 65' ' ' LEU . 3.5 p -138.78 142.71 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.51 ' O ' HD12 ' A' ' 40' ' ' ILE . 1.7 m -115.13 143.63 44.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.756 HD13 HD22 ' A' ' 35' ' ' LEU . 76.9 mt -143.76 124.51 9.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.17 142.74 35.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.091 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.496 ' NE2' ' O ' ' A' ' 92' ' ' THR . 26.3 tp60 -52.53 -59.74 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -51.12 -56.02 14.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.964 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -23.01 52.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.8 t80 -82.4 -28.77 31.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.603 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 25.5 t90 -100.39 1.11 41.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -97.1 -5.42 37.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 66.2 mt -112.32 -56.28 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.135 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.5 mp -58.84 -32.85 69.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.958 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.603 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 5.4 m-80 -87.92 -174.99 4.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.0 m-70 -107.55 56.82 0.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.458 HG21 ' CZ3' ' A' ' 120' ' ' TRP . 78.0 t -86.34 126.62 40.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.141 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.83 106.2 3.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.461 ' HG2' ' N ' ' A' ' 129' ' ' SER . 20.7 ttpt -171.62 149.95 2.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 128' ' ' LYS . 75.4 m -96.84 112.07 23.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -109.49 -78.4 1.03 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.46 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -26.35 27.53 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.649 2.233 . . . . 0.0 112.358 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 91.5 p -77.84 146.02 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.0 m -104.07 -39.78 6.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -116.85 152.73 33.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.883 0.373 . . . . 0.0 110.868 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.9 t -90.92 161.03 15.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.3 -160.82 9.68 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.507 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -83.59 41.94 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 110.868 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -86.23 157.91 19.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.04 125.04 2.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -74.46 -43.93 53.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -126.7 76.88 1.67 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -68.56 -55.73 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 94.6 mt -43.79 -50.29 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.6 mm-40 -45.79 -48.93 15.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -59.38 -46.46 88.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mt -55.8 -57.91 10.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.523 HD22 ' CE ' ' A' ' 29' ' ' MET . 95.8 mt -42.16 -67.19 0.28 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -39.69 -28.97 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.747 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -89.4 -36.01 15.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' LEU . 16.7 mtp -62.11 -64.93 0.78 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.815 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -43.54 -40.35 3.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.57 ' HG2' ' CE1' ' A' ' 19' ' ' HIS . 6.5 mm-40 -51.7 -46.45 63.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.758 HD22 ' HA2' ' A' ' 84' ' ' GLY . 14.7 mt -76.55 143.52 72.25 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-O 121.593 0.711 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -33.99 15.43 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.658 2.239 . . . . 0.0 112.362 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.03 -24.31 67.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -100.37 -41.56 6.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.7 -32.31 13.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.076 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -49.2 -42.78 41.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.854 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.509 ' HB3' HG11 ' A' ' 31' ' ' VAL . 3.4 mtt -81.85 160.52 23.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 29' ' ' MET . 15.2 t -88.08 160.55 17.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.603 ' HE3' ' HD2' ' A' ' 32' ' ' ARG . 5.8 tpt -34.36 -68.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 29' ' ' MET . 65.6 m -36.49 -68.08 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.698 HG13 HG22 ' A' ' 122' ' ' ILE . 59.2 t -40.61 -56.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.118 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.603 ' HD2' ' HE3' ' A' ' 29' ' ' MET . 90.4 mtt180 -42.56 -52.54 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' SG ' ' A' ' 36' ' ' CYS . 16.9 ttt-85 -61.98 -57.97 9.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.865 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -40.1 -42.3 1.41 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.612 HD22 HD13 ' A' ' 114' ' ' ILE . 10.5 mt -64.5 -45.68 86.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 33' ' ' ARG . 1.0 OUTLIER -49.3 -27.19 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 14.4 t -68.72 -35.3 76.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.662 HG11 ' OD2' ' A' ' 118' ' ' ASP . 22.5 m -112.46 21.66 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.154 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.468 ' HE2' HD11 ' A' ' 114' ' ' ILE . 7.2 mtt -88.47 110.79 21.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.0 mp -82.55 145.5 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -98.09 123.39 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -142.11 136.74 30.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 91.8 t -140.04 147.19 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.498 HG11 ' HB3' ' A' ' 49' ' ' ALA . 44.2 t -112.5 127.66 69.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.064 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -94.63 -42.29 8.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 42.8 mt-30 -83.85 108.77 17.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -54.84 178.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.16 18.65 2.26 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.482 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.498 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -75.5 142.86 42.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.735 0.302 . . . . 0.0 111.101 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.702 ' N ' HD12 ' A' ' 50' ' ' ILE . 2.3 mp -80.28 119.45 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.021 HD11 HG23 ' A' ' 104' ' ' THR . 4.8 mm -86.89 -38.51 12.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.443 HD13 HD21 ' A' ' 58' ' ' LEU . 28.2 mt -152.64 133.31 13.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -89.91 155.36 19.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.76 128.23 34.9 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.66 18.52 58.29 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.508 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -88.71 115.72 26.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.748 0.309 . . . . 0.0 110.928 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -58.48 88.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 89' ' ' ILE . 19.1 mt -55.18 118.68 4.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.524 ' O ' HD13 ' A' ' 89' ' ' ILE . 10.2 t70 -118.83 -22.56 7.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.404 ' C ' HG12 ' A' ' 89' ' ' ILE . 15.8 m -116.74 148.56 41.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 20.0 t90 -90.06 133.22 34.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.476 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 54.4 m-85 -116.67 132.41 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.421 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 84.7 t -129.49 117.76 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.4 mt -54.0 104.89 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.748 HD11 ' HB ' ' A' ' 112' ' ' VAL . 68.8 mt -82.8 -35.38 26.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.955 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -164.22 141.43 6.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 100.47 -166.86 19.83 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.475 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 69.0 m -133.14 138.08 46.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.5 m -121.94 134.92 63.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -105.41 133.76 49.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.696 ' O ' HG13 ' A' ' 78' ' ' VAL . 84.2 mt -111.13 135.94 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.1 t -121.55 132.36 54.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -102.54 147.69 34.4 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.608 0.718 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -19.14 36.37 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -76.9 -45.36 28.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.27 32.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.502 -179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.8 ttpt -129.51 145.35 51.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.696 HG13 ' O ' ' A' ' 71' ' ' ILE . 46.5 t -127.4 125.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.47 136.75 40.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -114.91 116.41 28.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 40.8 mt -106.64 165.38 11.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.94 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -146.32 167.2 24.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 14.1 ttt -44.07 115.99 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.758 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 126.05 -32.78 3.7 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.488 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -70.45 174.8 5.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.815 0.341 . . . . 0.0 110.909 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 p -146.61 139.6 25.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.806 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -146.49 148.95 32.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.57 -127.27 3.55 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.524 HD13 ' O ' ' A' ' 59' ' ' ASP . 11.2 pt -94.55 179.42 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.892 0.377 . . . . 0.0 111.171 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.59 160.6 27.98 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.4 Cg_endo -69.75 2.48 3.49 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 67.5 p -101.98 138.2 39.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.675 HD21 ' CE3' ' A' ' 120' ' ' TRP . 14.7 mt -42.92 -26.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 83.5 m-20 -51.34 157.33 1.01 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -101.84 173.8 6.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.514 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 2.1 mp0 -148.52 165.44 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -135.78 129.77 33.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.931 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.1 tpt -59.33 113.61 2.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.909 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -90.24 35.87 0.87 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 168.37 -174.93 43.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.513 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.0 mt -112.68 135.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.826 0.346 . . . . 0.0 111.17 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.41 HG22 HG12 ' A' ' 71' ' ' ILE . 24.1 t -108.18 137.08 41.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -147.35 131.06 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.021 HG23 HD11 ' A' ' 51' ' ' ILE . 66.0 p -60.46 163.2 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.179 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 14.3 mmmt -111.2 -23.8 10.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.896 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 22.6 m -140.57 178.89 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -93.28 179.64 5.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.4 t0 55.3 27.79 10.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.824 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 4.5 m -78.42 123.21 26.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -96.38 147.35 23.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.4 m-85 -150.71 139.7 21.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.748 ' HB ' HD11 ' A' ' 65' ' ' LEU . 12.4 p -108.53 145.22 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.476 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -123.32 145.5 48.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.612 HD13 HD22 ' A' ' 35' ' ' LEU . 64.6 mt -146.85 121.69 2.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.62 147.92 7.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.113 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 119' ' ' TYR . 23.3 tt0 -60.21 -60.48 3.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 116' ' ' GLN . 11.4 mm-40 -35.66 -62.6 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.662 ' OD2' HG11 ' A' ' 38' ' ' VAL . 6.1 m-20 -57.2 -36.52 70.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 6.1 t80 -68.06 -12.19 60.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.954 -179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.675 ' CE3' HD21 ' A' ' 93' ' ' LEU . 44.4 t90 -117.22 0.52 12.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -107.54 -6.42 17.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.826 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.698 HG22 HG13 ' A' ' 31' ' ' VAL . 88.7 mt -106.79 -55.99 5.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.57 -51.41 60.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.459 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.4 m-80 -60.01 -176.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 47.9 t60 -97.56 44.83 1.04 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 127' ' ' GLU . 16.4 t -105.53 140.44 23.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.152 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 128' ' ' LYS . 25.2 tt0 36.22 43.54 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 127' ' ' GLU . 0.0 OUTLIER -36.55 -33.68 0.05 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 127' ' ' GLU . 2.4 t -74.76 67.89 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -81.76 -158.04 20.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 1.96 3.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.347 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 47.5 t -67.91 96.03 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 97.7 p -76.13 145.58 39.87 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -100.19 106.42 18.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.924 0.392 . . . . 0.0 110.861 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -110.8 91.98 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.14 159.6 11.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.428 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -143.63 167.52 22.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.901 0.381 . . . . 0.0 110.862 -179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.0 m -158.13 155.0 28.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.03 108.52 0.22 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -47.02 -49.47 20.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -102.87 48.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -59.25 -30.64 68.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 14' ' ' LEU . 31.6 mt -66.03 -65.34 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.113 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -42.6 -40.62 2.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 80.2 mt-30 -65.34 -36.24 83.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 15' ' ' LEU . 3.0 mt -72.04 -59.47 2.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.872 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.788 HD12 ' HG3' ' A' ' 29' ' ' MET . 1.0 OUTLIER -34.11 -51.46 0.43 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -53.78 -53.76 47.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.796 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -59.78 -41.0 90.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.1 mtp -58.84 -31.19 68.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -69.59 -17.95 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.829 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 mm100 -80.86 -28.11 36.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.796 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 8.9 mt -90.62 141.87 27.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.935 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -37.39 9.31 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.44 -32.16 72.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.109 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.415 ' CE2' HG11 ' A' ' 63' ' ' VAL . 21.6 m-85 -92.79 -15.47 26.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -78.15 -27.85 48.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.084 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.86 -47.81 64.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.65 171.59 9.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.8 t -86.69 -179.74 6.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.154 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.788 ' HG3' HD12 ' A' ' 15' ' ' LEU . 2.1 ttt -63.97 -48.17 77.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -42.37 -56.2 3.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.653 HG22 HG22 ' A' ' 122' ' ' ILE . 30.8 t -57.3 -51.73 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.49 ' HA ' HD12 ' A' ' 35' ' ' LEU . 55.1 mtt180 -45.27 -63.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.857 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.556 ' HG3' HD11 ' A' ' 15' ' ' LEU . 38.2 mtt180 -48.52 -51.29 28.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -52.06 -49.11 64.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.674 HD22 HD13 ' A' ' 114' ' ' ILE . 28.6 mt -50.09 -48.22 53.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -48.31 -23.07 0.8 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.2 p -66.56 -37.79 85.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.85 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.4 m -116.18 23.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.4 mtt -80.65 116.77 20.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.46 ' CD1' ' O ' ' A' ' 113' ' ' CYS . 4.4 mp -83.86 148.89 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -105.51 117.19 33.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -141.38 141.53 33.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.442 HG22 ' HG2' ' A' ' 110' ' ' GLN . 84.9 t -144.73 142.69 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.134 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.4 t -110.41 126.72 67.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.31 -42.36 9.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -80.54 112.29 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.32 164.48 7.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 62.51 21.31 62.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.24 143.26 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.795 0.331 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.718 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -76.62 131.96 33.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.777 HD11 HG23 ' A' ' 104' ' ' THR . 3.4 mm -101.89 -36.78 4.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.131 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.6 mt -151.17 133.94 15.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -93.97 157.49 16.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -64.63 133.13 51.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 77.0 38.63 29.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -107.4 124.5 49.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 110.907 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -67.02 87.0 0.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.797 HD13 ' O ' ' A' ' 88' ' ' GLY . 4.9 mt -62.0 128.15 34.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -128.22 2.71 5.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.842 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.7 m -137.61 142.7 41.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.811 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 21.8 t90 -87.61 118.64 27.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.594 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 22.3 m-85 -99.17 132.93 44.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.469 ' HB ' ' CG1' ' A' ' 112' ' ' VAL . 79.8 t -129.76 120.76 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -57.55 111.9 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.125 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 65' ' ' LEU . 10.8 mt -89.23 -39.24 13.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -159.8 137.94 10.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.51 -170.46 20.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 81' ' ' LEU . 18.1 m -131.12 139.01 49.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.319 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.1 m -124.05 136.38 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -104.21 140.48 37.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 78' ' ' VAL . 26.8 mt -116.69 136.96 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.5 t -121.89 141.8 50.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -114.17 147.02 36.96 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.577 0.703 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -15.69 37.07 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.707 2.272 . . . . 0.0 112.362 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -79.27 -40.52 30.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.08 35.83 0.21 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.463 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -132.73 147.58 52.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 71' ' ' ILE . 40.5 t -129.5 115.35 34.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -95.19 119.64 34.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -100.81 119.07 38.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.551 ' O ' HG23 ' A' ' 68' ' ' THR . 25.2 mt -105.28 166.17 10.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' CD1' ' O ' ' A' ' 81' ' ' LEU . 15.6 m-85 -142.75 168.58 19.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 7.0 ttt -44.45 117.55 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 122.38 -36.21 3.23 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -64.37 166.03 8.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.8 p -135.46 160.57 38.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 15.0 p90 -170.76 152.05 3.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.797 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 142.28 -102.35 0.29 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.483 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.603 HG22 ' HB2' ' A' ' 58' ' ' LEU . 18.0 pt -124.08 -174.93 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 0.0 111.154 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.41 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.7 OUTLIER -108.17 160.98 24.97 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.626 0.726 . . . . 0.0 111.134 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.415 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.84 3.1 3.01 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.307 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.4 p -100.14 150.43 22.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.162 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.788 HD21 ' CE3' ' A' ' 120' ' ' TRP . 76.1 mt -58.94 -12.4 4.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.943 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -65.84 141.22 58.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.834 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -90.38 163.98 14.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.417 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -145.81 158.81 43.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.934 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -123.19 131.49 53.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 6.1 tpt -56.63 132.58 52.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.831 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 59.2 m-70 -107.56 33.52 4.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.824 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.02 -171.55 44.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.497 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 67.6 mt -117.5 137.83 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.88 0.372 . . . . 0.0 111.128 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.4 t -112.99 132.72 61.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -143.25 130.9 21.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.777 HG23 HD11 ' A' ' 51' ' ' ILE . 6.9 p -56.66 162.95 2.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.193 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -118.04 -9.81 10.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.428 HG23 ' SG ' ' A' ' 109' ' ' CYS . 33.6 m -149.57 173.53 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.148 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.35 163.25 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.5 t0 64.38 43.29 4.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.539 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 77.7 m -91.95 123.21 35.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.442 ' HG2' HG22 ' A' ' 43' ' ' VAL . 59.5 mt-30 -95.15 138.72 32.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.539 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 71.5 m-85 -141.51 154.07 45.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.469 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 14.7 p -123.95 145.91 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.594 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 14.1 m -124.9 146.44 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.674 HD13 HD22 ' A' ' 35' ' ' LEU . 55.0 mt -144.82 120.35 3.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.159 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -50.88 140.18 15.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.537 ' CB ' ' CD1' ' A' ' 89' ' ' ILE . 4.3 pt20 -61.5 -38.28 86.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.475 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 1.4 mp0 -53.43 -52.27 59.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.78 -32.6 63.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.0 t80 -64.96 -10.33 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.934 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.788 ' CE3' HD21 ' A' ' 93' ' ' LEU . 20.4 t90 -114.48 -2.23 13.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.43 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 48.2 ttp85 -99.73 -19.67 16.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.941 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.653 HG22 HG22 ' A' ' 31' ' ' VAL . 63.7 mt -89.49 -64.14 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.5 mp -56.3 -60.83 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.471 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 14.1 m-80 -57.97 179.82 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 31.0 m-70 -116.47 35.79 4.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.476 HG21 ' CH2' ' A' ' 120' ' ' TRP . 3.3 p -67.51 -18.89 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.106 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -160.93 163.17 32.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 27.9 mmtp -132.76 40.45 3.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 11.0 m -94.15 -65.45 0.99 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.922 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 96.15 -169.48 26.59 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.521 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.9 Cg_endo -69.77 2.26 3.7 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.669 2.246 . . . . 0.0 112.351 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 131' ' ' PRO . 72.0 p -35.54 124.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 7.7 m -97.7 120.36 37.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.1 t -119.54 87.21 2.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 t 53.48 42.46 31.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.6 146.65 18.87 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 m -123.48 153.6 40.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -103.39 171.22 7.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.43 152.67 5.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -107.19 -44.19 4.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.815 0.34 . . . . 0.0 110.866 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -90.9 42.82 1.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -52.32 -50.01 63.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 96.4 mt -70.16 -61.26 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -44.38 -37.59 3.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.5 mt-30 -67.98 -42.34 80.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD13 ' SG ' ' A' ' 36' ' ' CYS . 4.7 mt -64.06 -61.01 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -34.07 -59.34 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.969 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -42.68 -44.3 4.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.908 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.8 t80 -71.59 -41.48 68.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.408 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 12.9 mtp -62.16 -12.42 19.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -85.31 -38.7 18.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -70.69 -6.22 35.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.959 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.908 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 42.4 mt -105.69 135.16 19.42 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.651 0.738 . . . . 0.0 110.924 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 -41.72 4.01 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.639 2.226 . . . . 0.0 112.387 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.98 -30.78 60.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.057 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.408 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 16.5 m-85 -95.89 -49.52 5.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -43.21 -30.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.101 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -47.48 -45.57 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.54 155.12 17.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.7 t -65.94 -179.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.091 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.456 ' HG3' HD12 ' A' ' 15' ' ' LEU . 3.4 ttt -61.36 -58.79 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 29' ' ' MET . 18.9 t -35.19 -68.38 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.455 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 93.5 t -37.05 -42.1 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.413 ' HA ' HD12 ' A' ' 35' ' ' LEU . 50.8 mtt180 -64.5 -57.34 9.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.3 tpt180 -46.26 -44.67 16.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' HB2' ' CG2' ' A' ' 122' ' ' ILE . 10.5 mt-10 -62.98 -41.87 99.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.65 HD22 HD13 ' A' ' 114' ' ' ILE . 22.8 mt -60.26 -51.94 67.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.59 ' SG ' HD13 ' A' ' 14' ' ' LEU . 2.0 t -45.0 -22.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.9 t -70.74 -39.55 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.484 HG21 ' CB ' ' A' ' 118' ' ' ASP . 16.9 m -117.1 22.22 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.15 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.963 ' SD ' HD11 ' A' ' 114' ' ' ILE . 4.4 mmm -85.13 107.76 17.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.813 ' O ' HG23 ' A' ' 112' ' ' VAL . 27.9 mt -83.59 146.38 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.109 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.551 ' HZ ' HD21 ' A' ' 14' ' ' LEU . 12.6 m-85 -103.92 132.85 49.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -154.08 139.41 17.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 109' ' ' CYS . 3.0 p -143.1 127.77 15.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.584 HG11 ' HB3' ' A' ' 49' ' ' ALA . 80.7 t -88.14 125.65 41.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -86.95 -43.35 12.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.839 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -86.23 120.01 27.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.81 176.26 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 53.93 19.46 10.9 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.519 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.584 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -79.41 140.52 37.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.806 0.336 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.744 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.5 mp -78.53 118.23 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.945 HD11 HG23 ' A' ' 104' ' ' THR . 6.4 mm -82.12 -41.67 18.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.771 HD21 ' CZ ' ' A' ' 62' ' ' TYR . 13.4 mt -149.6 142.95 25.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -102.19 143.36 32.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -62.2 140.34 58.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 81.92 29.1 39.44 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.516 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -117.6 120.63 38.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -55.49 91.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 88' ' ' GLY . 10.4 mt -61.77 110.49 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -117.65 26.52 9.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.53 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 3.6 m -162.64 125.47 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.589 ' CZ2' ' CG2' ' A' ' 63' ' ' VAL . 19.2 t90 -79.57 131.81 36.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.898 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.771 ' CZ ' HD21 ' A' ' 52' ' ' LEU . 10.8 m-85 -106.91 153.34 22.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.589 ' CG2' ' CZ2' ' A' ' 61' ' ' TRP . 97.7 t -144.42 127.04 10.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.155 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.559 HD12 ' HB2' ' A' ' 85' ' ' ASN . 38.9 mt -61.72 117.94 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.091 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 mt -96.19 -36.55 10.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.1 t30 -163.04 132.93 4.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.93 -170.69 20.13 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.502 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 30.6 m -125.91 140.25 52.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.837 0.351 . . . . 0.0 111.124 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.9 m -123.23 134.86 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -106.8 129.43 54.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.56 ' O ' HG13 ' A' ' 78' ' ' VAL . 74.8 mt -106.39 137.38 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.114 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.9 m -120.24 130.85 54.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -106.54 146.22 32.6 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.603 0.716 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -20.33 35.13 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.329 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -75.87 -40.55 54.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 136.95 30.85 0.27 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.8 ttmt -123.61 149.79 44.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.86 0.362 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.56 HG13 ' O ' ' A' ' 71' ' ' ILE . 59.8 t -136.79 109.04 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -89.12 133.37 34.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.96 108.42 17.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.443 ' CB ' HD11 ' A' ' 64' ' ' ILE . 16.3 mt -99.67 154.31 18.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -132.66 172.19 12.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 19.2 ttt -44.66 118.38 1.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.45 -33.14 5.4 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.559 ' HB2' HD12 ' A' ' 64' ' ' ILE . 10.0 m120 -62.82 178.33 0.47 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.797 0.332 . . . . 0.0 110.94 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 12.5 p -144.94 156.09 43.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -168.9 147.87 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.552 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 146.24 -79.79 0.23 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.47 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.491 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 8.4 pt -153.39 167.29 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.02 160.92 39.51 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.576 0.703 . . . . 0.0 111.128 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.72 3.26 2.86 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.69 2.26 . . . . 0.0 112.374 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 26.4 p -89.79 150.7 22.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.099 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.587 HD21 ' CE3' ' A' ' 120' ' ' TRP . 11.2 mt -66.81 -20.55 65.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.22 130.65 42.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 152.89 44.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -143.09 138.2 29.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -108.03 137.16 46.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.5 tpt -60.02 105.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -85.58 33.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.831 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.03 -175.49 47.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.5 mt -120.24 130.98 73.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.877 0.37 . . . . 0.0 111.121 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.36 140.25 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 -152.05 131.06 12.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.945 HG23 HD11 ' A' ' 51' ' ' ILE . 18.5 p -59.83 163.19 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.7 mmmt -111.31 -22.89 11.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.903 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 11.8 m -138.85 -178.95 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.113 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -96.51 170.24 9.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 6.5 t0 61.93 28.47 17.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.5 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 6.3 m -79.64 129.73 34.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.411 ' O ' ' CG ' ' A' ' 111' ' ' PHE . 40.2 mt-30 -102.65 155.27 18.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.5 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 67.5 m-85 -157.24 169.47 24.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.813 HG23 ' O ' ' A' ' 40' ' ' ILE . 8.0 p -138.52 146.84 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.2 m -118.96 145.24 45.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.87 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.963 HD11 ' SD ' ' A' ' 39' ' ' MET . 55.5 mt -144.86 120.5 3.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.404 ' HB3' ' OD2' ' A' ' 118' ' ' ASP . . . -49.69 147.94 3.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.112 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -66.33 -49.0 68.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -51.28 -40.93 60.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.862 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.484 ' CB ' HG21 ' A' ' 38' ' ' VAL . 10.4 m-20 -76.3 -31.8 58.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 9.1 t80 -68.59 -9.43 49.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.956 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.587 ' CE3' HD21 ' A' ' 93' ' ' LEU . 18.7 t90 -120.26 0.56 10.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.705 ' HA ' HG21 ' A' ' 126' ' ' VAL . 5.9 ptm180 -98.57 -24.52 15.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.476 ' CG2' ' HB2' ' A' ' 34' ' ' GLU . 60.5 mt -89.2 -62.06 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' A' ' 124' ' ' ASN . 4.4 mp -54.58 -66.7 0.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.549 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 15.3 m-80 -49.31 179.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 20.3 p80 -97.32 44.67 1.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.705 HG21 ' HA ' ' A' ' 121' ' ' ARG . 60.1 t -69.52 136.35 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -123.91 -28.28 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.6 pttt -57.96 -11.81 2.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.8 t -164.77 150.75 10.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.512 ' N ' HH21 ' A' ' 121' ' ' ARG . . . 141.84 167.1 11.14 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.496 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 132' ' ' SER . 53.6 Cg_endo -69.75 -29.99 23.04 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.264 . . . . 0.0 112.356 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 131' ' ' PRO . 52.8 p -36.51 104.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.826 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 73.6 m -125.64 93.43 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.508 -179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 m -120.19 128.1 53.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.877 0.37 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.0 p -94.32 -50.63 5.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 148.86 93.89 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -51.4 131.7 28.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.874 0.369 . . . . 0.0 110.851 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -101.02 158.12 16.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.22 149.51 21.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.527 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -68.76 -43.82 74.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.84 0.352 . . . . 0.0 110.883 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -122.26 80.64 1.74 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -78.52 -53.51 7.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.42 ' O ' ' C ' ' A' ' 12' ' ' GLU . 7.3 mt -56.13 -59.08 3.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.164 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' ILE . 5.3 mm-40 -36.77 -52.86 0.92 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -62.02 -45.52 93.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HA ' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -55.03 -50.45 69.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 11' ' ' ILE . 1.6 mm? -49.39 -68.7 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -45.16 -36.3 3.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.861 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.801 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -66.55 -46.96 74.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.886 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.494 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 2.1 mtt -46.13 -40.22 10.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.504 ' CE1' ' NH1' ' A' ' 32' ' ' ARG . 4.6 m80 -51.67 -34.64 39.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.75 -42.91 99.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.917 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.801 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -85.65 136.26 37.24 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.973 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -34.79 13.8 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.711 2.274 . . . . 0.0 112.351 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.404 ' O ' ' SD ' ' A' ' 27' ' ' MET . . . -55.3 -39.39 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.072 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 21.2 m-85 -85.77 -49.75 7.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.847 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.15 -39.74 2.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -47.04 -50.13 20.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.404 ' SD ' ' O ' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -72.2 165.17 24.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.508 HG23 HG23 ' A' ' 31' ' ' VAL . 1.3 t -89.47 158.63 17.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.8 tpt -38.67 -61.99 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.884 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.6 m -38.14 -66.32 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG23 HG23 ' A' ' 28' ' ' THR . 79.1 t -39.59 -59.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.136 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.504 ' NH1' ' CE1' ' A' ' 19' ' ' HIS . 48.9 mtt180 -40.07 -73.72 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 32' ' ' ARG . 14.8 ttt180 -34.47 -55.55 0.53 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' HB2' HG21 ' A' ' 122' ' ' ILE . 5.6 mm-40 -54.37 -42.41 70.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.741 ' HA ' HG22 ' A' ' 38' ' ' VAL . 44.8 mt -62.78 -45.84 90.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.475 ' SG ' HD12 ' A' ' 14' ' ' LEU . 72.1 m -54.56 -18.17 4.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.7 m -97.73 -20.63 17.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.806 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.741 HG22 ' HA ' ' A' ' 35' ' ' LEU . 3.3 m -112.8 14.52 8.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.117 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.452 ' HB2' ' CG2' ' A' ' 112' ' ' VAL . 5.9 ptp -111.26 146.68 36.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 112' ' ' VAL . 48.4 mt -95.82 154.57 3.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.452 ' N ' HG22 ' A' ' 40' ' ' ILE . 47.0 m-85 -115.96 114.25 24.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.1 mm-40 -139.85 153.14 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.87 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 p -145.45 121.21 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.8 t -81.34 126.89 39.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -88.91 -41.34 12.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -86.44 119.6 26.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.72 178.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 50.71 25.38 9.1 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.498 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.36 141.22 33.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 111.11 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.732 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -78.21 118.63 25.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.936 HD11 HG23 ' A' ' 104' ' ' THR . 2.6 mm -87.74 -42.77 15.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.29 146.88 30.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -108.38 152.69 24.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.881 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 40.6 p-10 -66.88 134.76 52.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 85.03 30.77 24.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -111.26 126.61 55.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.759 0.314 . . . . 0.0 110.937 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.456 ' HG3' ' CZ ' ' A' ' 97' ' ' TYR . 8.9 tt0 -66.87 86.8 0.13 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.68 HD13 ' O ' ' A' ' 88' ' ' GLY . 6.7 mt -54.79 124.12 15.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -129.74 -3.14 4.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.3 m -134.18 126.77 30.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.432 ' CZ2' HG22 ' A' ' 63' ' ' VAL . 29.4 t90 -75.72 124.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.0 m-85 -101.59 151.6 21.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.432 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 61.5 t -139.95 153.28 22.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.416 ' N ' HG12 ' A' ' 63' ' ' VAL . 32.6 mt -97.44 98.93 7.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.6 mt -80.35 -36.25 34.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -157.15 141.48 16.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 94.23 177.0 39.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.477 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.808 HG23 ' O ' ' A' ' 81' ' ' LEU . 65.5 m -120.55 135.09 55.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 111.135 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.5 m -116.55 142.23 31.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.116 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -114.42 140.44 48.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.526 ' O ' HG13 ' A' ' 78' ' ' VAL . 62.2 mt -114.26 142.61 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.7 t -127.24 130.34 49.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -102.76 149.49 36.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -15.29 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.679 2.252 . . . . 0.0 112.364 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -79.2 -46.53 17.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 143.29 33.21 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -126.5 145.84 50.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.369 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 71' ' ' ILE . 57.6 t -134.91 103.92 4.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -71.96 172.93 9.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -145.95 109.74 4.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.808 ' O ' HG23 ' A' ' 68' ' ' THR . 29.6 mt -107.22 153.95 21.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -133.05 162.47 31.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.405 ' HA ' HG22 ' A' ' 64' ' ' ILE . 8.4 ttt -38.33 115.68 0.47 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.75 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 125.6 -39.31 2.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.516 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -62.44 175.04 0.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 78.1 p -148.43 149.36 31.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.811 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -149.41 164.95 33.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.68 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 129.87 -100.5 0.49 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.488 HG23 ' HB3' ' A' ' 58' ' ' LEU . 18.9 pt -127.81 -176.79 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.91 0.386 . . . . 0.0 111.092 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.22 160.41 26.28 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.551 0.691 . . . . 0.0 111.115 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.0 Cg_endo -69.76 -0.36 6.8 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.688 2.259 . . . . 0.0 112.372 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 34.0 p -97.97 131.43 44.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 92' ' ' THR . 58.5 mt -34.43 -34.55 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.965 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 2.1 m-20 -42.22 139.95 1.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -93.8 176.29 6.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.416 ' HG2' HG22 ' A' ' 89' ' ' ILE . 0.4 OUTLIER -166.34 160.98 16.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.456 ' CZ ' ' HG3' ' A' ' 57' ' ' GLU . 5.2 m-85 -127.41 146.82 50.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 8.3 tpt -66.01 136.77 56.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.47 29.46 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.22 -160.06 22.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.494 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.9 mt -130.34 127.36 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.886 0.374 . . . . 0.0 111.15 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.3 t -98.65 144.34 11.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.0 mtm180 -156.5 131.41 9.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.936 HG23 HD11 ' A' ' 51' ' ' ILE . 64.2 p -64.01 151.22 43.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -98.01 -28.83 13.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 17.9 m -132.09 173.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -91.0 174.18 7.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 43.7 m-20 60.31 34.53 20.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 5.9 m -82.16 131.95 35.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -107.63 140.19 41.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 77.2 m-85 -143.15 174.54 10.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 40' ' ' ILE . 3.4 p -146.47 142.68 21.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.577 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 10.0 m -116.31 131.61 56.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.567 HD13 HD22 ' A' ' 35' ' ' LEU . 95.0 mt -130.21 122.71 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.109 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.44 137.04 57.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.079 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -51.83 -58.65 5.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -40.31 -54.5 2.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.24 -30.98 69.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.485 ' O ' HD13 ' A' ' 123' ' ' LEU . 10.9 t80 -69.69 -21.22 63.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.646 ' CD1' ' ND2' ' A' ' 124' ' ' ASN . 42.3 t90 -109.89 1.86 19.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 19.1 ttp85 -99.77 -13.29 19.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.495 HG22 HG13 ' A' ' 31' ' ' VAL . 53.1 mt -103.35 -50.55 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 119' ' ' TYR . 5.1 mp -66.47 -33.4 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.646 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 5.1 m-80 -83.98 -174.96 5.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -110.76 54.22 0.68 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.471 HG12 ' HG2' ' A' ' 128' ' ' LYS . 74.0 t -88.53 139.46 17.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 64.0 mm-40 -96.98 88.0 4.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.471 ' HG2' HG12 ' A' ' 126' ' ' VAL . 52.8 mmtt -146.47 166.65 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 40.0 t -60.62 137.82 58.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -73.73 -158.31 5.22 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.49 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 -6.35 18.39 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.244 . . . . 0.0 112.325 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 28.1 t -72.22 133.66 45.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 33.5 t -84.0 115.71 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.845 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.3 p -117.85 109.39 16.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.889 0.376 . . . . 0.0 110.868 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -132.94 117.94 18.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.892 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.83 126.2 6.89 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.7 p -48.73 120.41 3.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.838 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.0 p -120.28 96.3 5.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.826 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.09 107.09 1.79 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.503 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -55.06 -31.75 61.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.827 0.346 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -112.67 28.32 8.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.439 ' O ' HD12 ' A' ' 14' ' ' LEU . 20.4 t70 -50.99 -31.3 17.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.824 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 14.1 mt -79.59 -57.23 5.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -44.36 -45.42 8.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -61.7 -45.04 95.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.93 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.561 HD13 ' SG ' ' A' ' 36' ' ' CYS . 3.1 mt -63.13 -59.75 4.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 14' ' ' LEU . 70.3 mt -35.23 -48.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -60.23 -49.09 79.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.824 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.8 t80 -61.18 -56.1 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.878 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.58 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 10.6 mtp -44.75 -42.91 8.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -53.17 -37.73 62.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.1 mt-30 -66.39 -41.73 88.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.824 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 7.2 mt -68.48 141.3 93.1 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -40.36 5.48 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -55.4 -42.17 73.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.027 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.58 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 35.0 m-85 -86.16 -17.95 33.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -63.72 -45.37 90.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.118 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -53.61 -21.76 7.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.421 ' SD ' HG11 ' A' ' 31' ' ' VAL . 15.5 mtt -100.43 168.09 9.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 15.3 t -98.62 -178.16 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.166 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.475 ' O ' ' N ' ' A' ' 32' ' ' ARG . 33.2 tpp -59.08 -66.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 29' ' ' MET . 58.4 m -35.28 -44.92 0.29 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.456 ' HA ' ' CG2' ' A' ' 122' ' ' ILE . 48.2 t -61.6 -45.59 98.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 29' ' ' MET . 96.9 mtt180 -56.14 -69.35 0.15 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -42.27 -46.56 4.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -58.31 -49.62 76.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.668 HD22 HD13 ' A' ' 114' ' ' ILE . 19.2 mt -55.99 -48.2 76.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.561 ' SG ' HD13 ' A' ' 14' ' ' LEU . 16.6 t -55.18 -15.43 2.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.6 t -93.37 -20.28 20.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.411 HG22 ' HA ' ' A' ' 35' ' ' LEU . 3.7 m -121.06 21.54 5.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.14 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.664 ' SD ' HG21 ' A' ' 112' ' ' VAL . 2.9 ptp -115.02 141.02 48.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.68 HD13 ' HB3' ' A' ' 113' ' ' CYS . 4.3 mp -90.79 159.11 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.519 ' N ' HG22 ' A' ' 40' ' ' ILE . 27.3 m-85 -113.56 109.57 18.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -135.59 148.99 49.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 109' ' ' CYS . 7.1 p -151.6 124.99 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.52 HG11 ' HB3' ' A' ' 49' ' ' ALA . 60.5 t -81.13 132.17 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -97.13 -35.99 10.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -97.1 110.09 22.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -52.24 179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.101 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.91 17.74 30.23 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.52 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -80.9 136.85 36.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.769 0.319 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.716 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.2 mp -79.2 110.41 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.04 HD11 HG23 ' A' ' 104' ' ' THR . 7.1 mm -73.59 -42.53 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 85.4 mt -142.12 179.35 6.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.958 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -135.79 134.34 38.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.456 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 1.2 t70 -60.16 134.42 57.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.85 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 83.81 39.61 9.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.462 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.427 ' C ' ' OE1' ' A' ' 56' ' ' GLN . 0.9 OUTLIER -128.12 143.83 51.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.75 0.309 . . . . 0.0 110.932 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -75.95 99.77 4.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.947 HD13 ' O ' ' A' ' 88' ' ' GLY . 8.5 mt -64.05 119.25 9.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -124.15 25.95 7.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.5 p -166.8 135.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.525 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 27.6 t90 -88.16 121.19 30.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -100.95 151.25 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.939 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.434 ' HB ' HG12 ' A' ' 112' ' ' VAL . 61.4 t -138.4 147.72 25.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 18.8 mt -87.31 102.41 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -81.92 -35.74 28.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -163.52 135.56 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 107.12 -168.55 14.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.465 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 81' ' ' LEU . 52.2 m -133.23 132.98 42.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 111.139 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 19.7 m -117.0 132.6 66.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -104.48 129.88 52.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.2 mt -109.72 136.25 46.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.5 t -118.25 142.81 47.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -110.87 147.15 35.9 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.617 0.722 . . . . 0.0 110.84 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -16.29 37.48 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 2.262 . . . . 0.0 112.317 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.16 -45.56 22.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.9 36.33 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -132.49 150.03 52.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.66 113.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.159 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -87.67 144.89 26.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -123.71 107.39 11.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 68' ' ' THR . 48.3 mt -100.78 149.89 23.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 37.0 m-85 -124.67 169.38 12.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.8 ttt -45.15 115.44 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.472 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 126.66 -33.44 3.41 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.52 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.454 ' HB3' HD22 ' A' ' 81' ' ' LEU . 20.4 m120 -71.48 159.74 33.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.2 p -131.47 153.36 49.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -156.27 156.45 34.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.947 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 139.06 -85.25 0.22 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.483 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.688 HD13 ' HB3' ' A' ' 116' ' ' GLN . 7.7 pt -143.02 -176.15 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.909 0.385 . . . . 0.0 111.124 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.08 160.55 26.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.562 0.696 . . . . 0.0 111.135 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.73 0.89 4.97 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.319 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.9 p -97.38 130.88 44.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.731 HD21 ' CE3' ' A' ' 120' ' ' TRP . 77.1 mt -38.18 -27.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.991 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 92' ' ' THR . 1.1 m-20 -48.95 149.41 1.87 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.26 173.85 7.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -159.52 153.17 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -116.32 133.82 55.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.2 tpt -53.02 147.36 9.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -126.18 43.39 3.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.822 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 159.1 173.96 28.19 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.1 mt -103.99 125.47 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.6 t -96.12 133.87 35.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.155 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -145.88 130.85 18.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.04 HG23 HD11 ' A' ' 51' ' ' ILE . 57.6 p -59.31 161.41 5.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -108.49 -32.15 7.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.1 m -134.74 171.2 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.88 172.9 11.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 29.4 t0 59.74 44.0 14.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.554 ' O ' HG23 ' A' ' 43' ' ' VAL . 8.6 m -93.8 123.2 36.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -96.86 149.06 22.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.508 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 84.6 m-85 -151.51 167.98 26.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.664 HG21 ' SD ' ' A' ' 39' ' ' MET . 12.3 p -138.32 142.67 34.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.68 ' HB3' HD13 ' A' ' 40' ' ' ILE . 1.7 t -110.49 139.92 45.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.668 HD13 HD22 ' A' ' 35' ' ' LEU . 62.4 mt -146.4 120.1 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -60.63 142.77 55.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.108 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.688 ' HB3' HD13 ' A' ' 89' ' ' ILE . 6.0 pt20 -61.87 -40.58 95.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.475 ' N ' ' HG3' ' A' ' 116' ' ' GLN . 12.8 mm-40 -51.81 -50.11 61.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.895 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -74.43 -28.93 61.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.525 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 4.4 t80 -66.24 -13.09 59.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.731 ' CE3' HD21 ' A' ' 93' ' ' LEU . 59.3 t90 -113.02 4.45 16.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.937 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.585 ' HD2' HG13 ' A' ' 126' ' ' VAL . 1.9 tpt180 -104.95 -24.02 12.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.456 ' CG2' ' HA ' ' A' ' 31' ' ' VAL . 85.5 mt -92.42 -62.51 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -54.98 -57.28 12.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.928 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.422 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 8.7 m-80 -58.86 -177.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -114.43 33.42 5.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.876 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.585 HG13 ' HD2' ' A' ' 121' ' ' ARG . 7.4 p -74.99 -13.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -109.91 179.83 4.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -119.0 -45.77 2.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 72.0 p -131.11 44.07 3.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 67.09 -159.11 50.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 118.45 5.69 Favored 'Trans proline' 0 C--N 1.34 0.131 0 C-N-CA 122.709 2.273 . . . . 0.0 112.29 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 80.8 p -82.56 176.24 9.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 89.9 p -49.28 141.87 8.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.509 -179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -127.35 132.7 50.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -128.96 90.65 3.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.07 154.43 25.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.498 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 6' ' ' SER . 57.8 m -52.86 -48.52 67.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 5' ' ' SER . 97.7 p 37.2 45.42 0.5 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.38 110.56 2.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.5 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.13 -34.49 77.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.6 p30 -103.92 39.01 1.7 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.564 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.9 p-10 -65.27 -30.56 71.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.0 mt -67.82 -59.71 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -45.22 -54.73 6.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.437 ' CD ' ' HA ' ' A' ' 10' ' ' ASP . 5.6 pt20 -57.97 -49.32 77.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.924 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.688 HD13 ' SG ' ' A' ' 36' ' ' CYS . 3.8 mt -52.59 -57.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.435 HD23 ' HB3' ' A' ' 32' ' ' ARG . 30.6 mt -48.58 -69.45 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.901 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.436 ' CG ' ' O ' ' A' ' 13' ' ' GLN . 7.9 pt-20 -40.52 -34.77 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.679 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.7 t80 -73.84 -48.25 32.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.4 mtp -50.87 -31.88 18.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -64.84 -32.37 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.857 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -63.67 -42.0 98.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.679 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 22.7 mt -75.27 142.23 74.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.604 0.716 . . . . 0.0 110.926 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.54 3.3 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.709 2.273 . . . . 0.0 112.346 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.8 69.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.072 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.414 ' HD2' HD12 ' A' ' 21' ' ' LEU . 7.8 m-85 -86.73 -40.54 14.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.99 -33.09 10.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.122 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 31.2 m120 -46.13 -46.58 17.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.41 161.27 14.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.898 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.443 HG23 ' HB2' ' A' ' 30' ' ' SER . 11.9 t -86.32 173.46 9.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 2.6 ttt -50.9 -46.41 60.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.443 ' HB2' HG23 ' A' ' 28' ' ' THR . 3.9 m -41.57 -66.94 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 55.1 t -48.97 -48.72 16.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.116 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.778 ' HA ' HD12 ' A' ' 35' ' ' LEU . 58.3 mtt180 -49.29 -69.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 56.8 mtt-85 -38.38 -52.52 1.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -52.64 -41.21 63.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.778 HD12 ' HA ' ' A' ' 32' ' ' ARG . 13.0 mt -64.17 -52.49 58.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.688 ' SG ' HD13 ' A' ' 14' ' ' LEU . 1.8 t -43.84 -32.21 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.5 t -68.22 -36.78 80.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.571 HG21 ' HB3' ' A' ' 118' ' ' ASP . 31.9 m -115.21 22.29 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.109 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.937 ' SD ' HD11 ' A' ' 114' ' ' ILE . 2.6 mmm -88.96 115.68 26.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.63 148.62 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.117 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -101.79 133.14 46.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -150.86 129.14 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.9 t -137.33 127.34 37.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.146 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.616 HG11 ' HB3' ' A' ' 49' ' ' ALA . 58.8 t -94.63 122.84 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.088 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -89.61 -39.63 13.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -87.0 118.9 26.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.31 176.31 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.119 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.98 23.88 12.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.475 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.616 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -81.18 140.3 35.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.323 . . . . 0.0 111.13 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.719 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -80.19 121.82 34.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.139 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.935 HD11 HG23 ' A' ' 104' ' ' THR . 2.5 mm -85.37 -40.22 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.5 HD21 ' CE1' ' A' ' 62' ' ' TYR . 27.1 mt -148.79 171.21 16.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -133.3 146.94 51.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.83 126.61 29.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.831 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.29 29.44 10.24 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.493 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 tt0 -118.95 118.38 31.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.717 0.294 . . . . 0.0 110.913 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -52.59 96.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.493 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 6.8 mt -64.56 118.97 9.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' A' ' 59' ' ' ASP . 35.9 p30 -128.39 27.61 5.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.2 m -160.49 141.41 11.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.613 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 20.9 t90 -92.17 123.04 35.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.576 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.7 m-85 -105.99 117.36 33.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.928 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.437 ' HB ' HG12 ' A' ' 112' ' ' VAL . 95.0 t -113.99 123.04 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.434 HG22 ' HA ' ' A' ' 83' ' ' MET . 37.1 mt -60.39 112.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.107 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD11 ' HB ' ' A' ' 112' ' ' VAL . 21.8 mt -94.24 -36.04 12.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -159.89 149.83 18.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.39 -163.9 31.61 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 81' ' ' LEU . 88.1 m -134.98 137.55 43.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.151 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.4 m -120.89 130.02 75.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -106.61 126.55 52.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.546 ' O ' HG13 ' A' ' 78' ' ' VAL . 46.3 mt -104.01 144.46 14.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.17 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.6 m -131.38 117.08 18.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -89.03 151.04 46.43 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.608 0.718 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -18.62 36.97 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.638 2.226 . . . . 0.0 112.326 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -73.77 -43.28 59.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.826 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.76 31.81 0.2 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -123.73 152.7 41.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.546 HG13 ' O ' ' A' ' 71' ' ' ILE . 37.4 t -136.86 108.76 6.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -87.67 135.46 33.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -112.18 107.11 15.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 68' ' ' THR . 21.2 mt -104.1 152.13 22.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.968 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -131.82 172.82 11.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.434 ' HA ' HG22 ' A' ' 64' ' ' ILE . 16.5 ttt -44.78 118.52 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.471 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 121.64 -43.16 1.54 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.452 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -61.92 165.95 4.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.87 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.7 p -134.23 157.35 46.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 62' ' ' TYR . 27.3 p90 -166.21 147.32 6.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 144.36 -100.23 0.23 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.491 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.493 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 6.8 pt -130.62 171.04 18.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.921 0.391 . . . . 0.0 111.137 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.442 ' OG1' ' NE2' ' A' ' 96' ' ' GLN . 0.6 OUTLIER -102.3 162.01 21.59 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.6 0.714 . . . . 0.0 111.104 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.424 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 4.27 2.27 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.724 2.283 . . . . 0.0 112.348 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.6 p -98.29 129.1 45.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.186 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.468 HD21 ' CE3' ' A' ' 120' ' ' TRP . 74.6 mt -42.98 -29.89 0.37 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.946 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -39.46 130.22 1.78 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -73.68 146.17 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.442 ' NE2' ' OG1' ' A' ' 90' ' ' THR . 17.2 mt-30 -141.72 130.88 23.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -108.01 133.16 52.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.459 ' SD ' HD21 ' A' ' 58' ' ' LEU . 11.9 tpt -56.04 143.14 33.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -124.59 40.49 3.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 175.15 179.36 45.66 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.446 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.31 120.95 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.909 0.385 . . . . 0.0 111.097 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 4.5 t -92.86 142.08 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.117 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.3 mtt180 -151.38 130.88 12.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.935 HG23 HD11 ' A' ' 51' ' ' ILE . 55.5 p -60.15 167.73 2.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -114.71 -27.47 7.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.2 m -134.89 -177.25 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -96.85 170.06 9.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.813 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.0 t70 56.18 48.63 17.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.559 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 44.7 m -95.02 134.53 37.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -101.22 145.92 28.2 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.965 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.559 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 76.4 m-85 -153.98 139.7 18.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.635 HG21 ' SD ' ' A' ' 39' ' ' MET . 4.4 p -108.0 151.09 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.124 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.576 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 2.7 m -127.8 146.84 50.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.937 HD11 ' SD ' ' A' ' 39' ' ' MET . 65.9 mt -146.93 118.24 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.13 139.1 24.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.0 tt0 -49.46 -56.46 9.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -43.18 -66.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.571 ' HB3' HG21 ' A' ' 38' ' ' VAL . 13.4 m-20 -51.04 -44.57 61.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.613 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.4 t80 -53.88 -35.13 61.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.534 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 57.0 t90 -95.67 2.59 54.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.469 ' HA ' ' CG1' ' A' ' 126' ' ' VAL . 42.5 ttm-85 -99.28 -18.28 17.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.541 HD12 HD23 ' A' ' 35' ' ' LEU . 53.2 mt -99.04 -70.66 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.16 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -45.85 -40.37 9.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.477 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 6.9 m-80 -76.42 -175.12 3.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -114.35 66.18 0.67 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.819 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 126' ' ' VAL . 7.7 p -123.24 73.15 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.114 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -64.88 94.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.844 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 8.2 tppt? -169.31 112.62 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 14.4 m 67.18 52.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -84.29 -157.4 26.11 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.76 3.22 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.71 2.273 . . . . 0.0 112.321 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 20.7 t -101.11 142.13 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 53.1 p -116.61 133.92 55.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.469 -179.978 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.9 p -171.27 145.81 2.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.847 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -81.75 164.35 21.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.01 -163.49 33.6 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.523 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -61.2 135.79 57.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.6 m -111.67 169.44 8.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.62 161.18 52.76 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.5 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -78.27 -53.94 6.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.812 0.339 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -118.63 70.16 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 13' ' ' GLN . 7.7 t70 -51.84 -64.85 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.0 mm -40.0 -45.98 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.092 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -63.46 -34.38 77.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 10' ' ' ASP . 40.7 mt-30 -70.87 -34.33 71.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.793 HD13 ' SG ' ' A' ' 36' ' ' CYS . 7.7 mt -72.95 -60.5 2.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.1 mt -42.4 -63.54 0.75 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.927 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 17' ' ' PHE . 13.6 pt-20 -42.51 -39.99 2.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.696 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -71.08 -39.09 72.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 15.9 mtp -65.2 -14.55 60.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH12 ' A' ' 32' ' ' ARG . 8.4 t-80 -80.35 -15.62 56.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -94.2 -13.62 26.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.696 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 43.9 mt -102.99 140.26 20.89 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.574 0.702 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -48.51 0.7 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.636 2.224 . . . . 0.0 112.365 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.72 -35.79 6.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -93.32 -35.31 13.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.97 -15.01 63.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.085 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -70.46 -7.58 44.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -131.78 152.51 50.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 13.1 t -54.51 161.85 1.31 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.154 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 17.5 ttm -62.86 -44.81 95.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 43.6 t -51.91 -23.48 4.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 15.2 t -87.25 -25.82 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.514 HH12 ' CD2' ' A' ' 19' ' ' HIS . 96.9 mtt180 -68.16 -54.08 20.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -55.05 -45.58 75.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -55.56 -38.96 70.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.574 HD22 HD13 ' A' ' 114' ' ' ILE . 23.1 mt -63.84 -45.05 91.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.793 ' SG ' HD13 ' A' ' 14' ' ' LEU . 49.0 t -52.25 -23.8 6.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -74.66 -35.18 62.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.6 m -110.32 21.48 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.437 ' SD ' HG21 ' A' ' 112' ' ' VAL . 4.6 mtt -84.57 140.12 31.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.603 ' O ' HG23 ' A' ' 112' ' ' VAL . 3.8 mm -102.34 157.79 4.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.461 ' N ' HG22 ' A' ' 40' ' ' ILE . 39.4 m-85 -113.3 114.36 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -141.46 142.4 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.4 t -145.25 125.47 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.15 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.42 HG11 ' HB3' ' A' ' 49' ' ' ALA . 92.3 t -90.31 123.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -91.38 -43.44 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.406 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 79.0 mt-30 -81.9 103.54 11.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.863 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -51.55 171.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.109 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 52.12 33.14 37.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.42 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -90.11 146.48 24.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 0.0 111.08 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.696 ' N ' HD12 ' A' ' 50' ' ' ILE . 2.7 mp -80.57 123.47 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.888 HD11 HG23 ' A' ' 104' ' ' THR . 3.2 mm -92.5 -35.7 7.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.14 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.504 HD13 ' CD2' ' A' ' 58' ' ' LEU . 28.5 mt -154.72 127.06 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -87.0 152.0 22.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.905 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -61.51 109.51 1.2 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 101.86 24.03 8.89 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.534 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -97.86 109.68 22.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.782 0.325 . . . . 0.0 110.866 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 62.5 tt0 -45.81 96.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.937 HD13 ' O ' ' A' ' 88' ' ' GLY . 13.5 mt -66.99 114.31 5.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -125.26 33.89 5.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 7.7 p -169.36 133.54 1.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.439 ' CZ2' ' HB2' ' A' ' 86' ' ' SER . 15.2 t90 -82.51 121.92 27.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.892 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.547 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 17.8 m-85 -104.03 137.7 41.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 94.1 t -134.37 117.2 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 39.7 mt -53.65 115.37 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 12.9 mt -93.58 -43.29 8.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -155.76 121.34 4.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 118.79 -168.75 13.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.621 HG23 ' O ' ' A' ' 81' ' ' LEU . 98.9 m -132.21 135.37 46.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.812 0.339 . . . . 0.0 111.134 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 17.0 m -117.29 133.67 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -104.76 132.36 51.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.483 ' O ' HG13 ' A' ' 78' ' ' VAL . 46.3 mt -110.05 131.41 61.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.141 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -118.85 127.54 53.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -98.69 148.77 35.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.621 0.724 . . . . 0.0 110.842 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -17.49 37.5 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -76.23 -43.89 40.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 139.29 33.12 0.17 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.48 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -127.93 156.18 43.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.815 0.34 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.483 HG13 ' O ' ' A' ' 71' ' ' ILE . 25.9 t -137.89 118.33 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -98.96 121.47 40.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -99.81 118.65 36.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.911 HD22 ' CG ' ' A' ' 85' ' ' ASN . 48.9 mt -110.56 163.85 13.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.44 ' O ' ' C ' ' A' ' 83' ' ' MET . 25.7 m-85 -144.73 158.95 43.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.459 ' HE2' HD21 ' A' ' 21' ' ' LEU . 9.9 ttt -34.52 110.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.427 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 133.53 -25.48 3.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.911 ' CG ' HD22 ' A' ' 81' ' ' LEU . 3.6 t-20 -75.79 171.73 13.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.86 0.362 . . . . 0.0 110.866 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.439 ' HB2' ' CZ2' ' A' ' 61' ' ' TRP . 58.7 p -141.0 129.62 22.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.547 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 8.3 p90 -144.16 154.01 42.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.937 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 139.28 -83.8 0.24 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.43 ' CD1' ' HB2' ' A' ' 116' ' ' GLN . 10.1 pt -142.98 175.58 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.479 ' H ' ' NE2' ' A' ' 96' ' ' GLN . 0.8 OUTLIER -101.32 160.53 26.34 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.522 0.677 . . . . 0.0 111.183 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.8 Cg_endo -69.79 0.92 4.97 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.666 2.244 . . . . 0.0 112.303 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.42 ' O ' ' N ' ' A' ' 94' ' ' ASP . 58.4 p -92.79 134.54 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.51 ' HG ' ' CD2' ' A' ' 120' ' ' TRP . 19.8 mt -42.28 -24.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 92' ' ' THR . 3.7 t70 -58.76 155.88 12.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' C ' ' CD ' ' A' ' 96' ' ' GLN . 0.1 OUTLIER -100.63 165.72 11.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.479 ' NE2' ' H ' ' A' ' 90' ' ' THR . 3.7 mp0 -147.67 147.9 30.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -110.49 149.01 30.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.466 ' SD ' ' N ' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -64.94 112.41 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -83.7 37.72 0.6 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' N ' ' SD ' ' A' ' 98' ' ' MET . . . 163.67 -161.9 34.56 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.479 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.0 mt -125.27 123.52 65.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 111.176 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.8 t -98.66 140.11 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -148.33 131.13 16.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.888 HG23 HD11 ' A' ' 51' ' ' ILE . 14.6 p -61.25 154.61 23.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.406 ' NZ ' ' HB3' ' A' ' 105' ' ' LYS . 0.4 OUTLIER -103.5 -22.2 13.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 8.5 m -138.48 173.19 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.093 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -92.4 175.8 6.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 53.18 40.88 31.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 21.2 m -89.12 129.7 35.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -95.84 135.24 37.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 73.5 m-85 -139.31 142.53 37.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 40' ' ' ILE . 14.4 p -116.49 143.25 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.145 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.406 ' C ' HG13 ' A' ' 114' ' ' ILE . 56.8 m -120.49 149.37 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.574 HD13 HD22 ' A' ' 35' ' ' LEU . 52.1 mt -144.82 119.98 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -51.15 147.89 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.069 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.497 ' NE2' ' O ' ' A' ' 93' ' ' LEU . 3.2 tt0 -65.03 -58.82 5.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -40.03 -49.51 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.41 -38.6 77.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.527 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 8.8 t80 -62.28 -23.71 66.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.556 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 53.0 t90 -101.0 4.65 42.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.927 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.434 ' NH1' ' HB2' ' A' ' 121' ' ' ARG . 14.5 ttm105 -102.98 -27.34 12.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.844 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 52.7 mt -87.29 -72.85 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.106 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 mp -46.05 -54.79 7.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.448 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 9.0 m-80 -55.31 -174.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -93.15 49.15 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.5 t -115.25 70.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.132 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -89.58 -28.99 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -33.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.3 t -86.47 -70.69 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 60.07 128.06 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 115.94 4.33 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.359 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.2 t -144.35 114.6 7.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.8 m -119.8 110.79 17.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.499 -179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 m -72.43 125.42 27.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.858 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -98.87 150.36 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.97 89.37 1.0 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -113.06 128.25 56.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.898 0.38 . . . . 0.0 110.84 -179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -100.9 146.12 27.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.39 161.18 11.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.446 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -104.59 -47.56 4.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.3 p30 -123.46 71.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.13 -59.53 4.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.857 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 14' ' ' LEU . 33.9 mt -42.28 -51.48 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -46.09 -42.08 13.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -68.98 -26.57 65.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 ' CD2' ' SG ' ' A' ' 36' ' ' CYS . 34.0 tp -78.46 -47.3 17.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD13 ' CE ' ' A' ' 29' ' ' MET . 36.3 mt -49.49 -53.58 22.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -44.27 -48.86 9.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.76 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 1.9 t80 -60.41 -58.61 7.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.568 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.5 mtp -42.23 -47.31 4.7 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.875 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.512 ' CD2' HH12 ' A' ' 32' ' ' ARG . 2.3 t-80 -45.85 -42.22 12.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -58.02 -44.15 87.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.76 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 11.8 mt -69.73 139.21 88.45 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.61 0.719 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.9 9.93 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.66 2.24 . . . . 0.0 112.327 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.04 -37.34 79.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.568 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 20.8 m-85 -88.76 -39.81 13.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.95 -46.79 32.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -42.8 -45.27 4.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.521 ' SD ' HD11 ' A' ' 35' ' ' LEU . 7.3 mtt -76.06 161.36 28.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.873 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.423 HG22 HG23 ' A' ' 31' ' ' VAL . 15.4 t -85.27 160.65 19.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.498 ' CE ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.66 -53.54 2.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.886 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 31' ' ' VAL . 28.3 m -47.57 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.626 HG13 HG22 ' A' ' 122' ' ' ILE . 80.6 t -36.26 -54.43 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.512 HH12 ' CD2' ' A' ' 19' ' ' HIS . 93.4 mtt180 -45.47 -49.52 13.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -61.81 -54.04 47.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -51.6 -36.45 45.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.888 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.521 HD11 ' SD ' ' A' ' 27' ' ' MET . 23.2 mt -62.34 -49.33 76.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.929 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.487 ' SG ' ' CD2' ' A' ' 14' ' ' LEU . 49.4 t -59.78 -12.11 6.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.836 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -97.7 -10.08 25.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.831 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.404 HG21 ' HB3' ' A' ' 118' ' ' ASP . 23.0 m -132.54 21.05 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.779 ' SD ' HG21 ' A' ' 112' ' ' VAL . 3.4 ptp -114.31 156.47 24.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.905 HD12 ' HB3' ' A' ' 113' ' ' CYS . 34.6 mt -106.03 145.04 14.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -102.18 103.67 14.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -127.99 156.67 42.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 109' ' ' CYS . 2.1 p -152.8 123.79 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 76.9 t -78.38 131.59 34.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -95.8 -38.71 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -92.43 111.31 22.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -53.45 -177.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.405 ' CA ' HH21 ' A' ' 103' ' ' ARG . . . 43.34 35.97 2.87 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.05 138.63 31.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.754 0.311 . . . . 0.0 111.093 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.728 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.4 mp -74.55 110.55 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.0 HD11 HG23 ' A' ' 104' ' ' THR . 6.7 mm -76.81 -42.37 33.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.0 mt -143.99 155.89 44.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.939 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -111.51 150.56 29.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -67.03 138.78 57.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 71.08 40.07 62.37 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.479 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -117.87 113.76 22.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.761 0.315 . . . . 0.0 110.951 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -50.29 93.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.5 mt -69.38 127.94 34.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.457 ' O ' HD13 ' A' ' 89' ' ' ILE . 0.8 OUTLIER -125.49 -28.81 3.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.833 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.0 m -104.4 153.58 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.618 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 21.6 t90 -97.38 145.29 26.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.921 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.559 ' HB2' ' CE1' ' A' ' 87' ' ' PHE . 27.4 m-85 -128.43 128.55 44.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.526 HG22 ' CZ2' ' A' ' 61' ' ' TRP . 97.2 t -122.9 134.51 65.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.115 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.2 mt -72.43 104.96 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.143 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.439 HD11 ' HB ' ' A' ' 112' ' ' VAL . 75.6 mt -83.71 -41.87 17.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 9.3 t30 -156.02 138.89 15.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.68 -177.32 26.82 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.855 HG22 ' HG3' ' A' ' 105' ' ' LYS . 92.6 m -121.63 138.46 54.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.861 0.362 . . . . 0.0 111.136 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.0 m -122.81 135.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -111.67 141.5 45.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.477 HG12 HG22 ' A' ' 102' ' ' VAL . 65.4 mt -114.72 135.58 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.1 t -118.56 131.6 56.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -101.68 148.09 34.77 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.544 0.687 . . . . 0.0 110.875 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -16.28 37.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.689 2.259 . . . . 0.0 112.352 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -75.48 -45.84 36.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.7 33.29 0.1 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.512 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -128.34 163.04 25.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 48.6 t -147.88 119.86 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -92.0 168.6 11.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -144.23 107.21 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 68' ' ' THR . 10.0 mt -100.19 155.87 17.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -127.56 177.51 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 26.8 ttt -53.54 118.04 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 124.22 -31.52 4.44 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -68.85 170.34 9.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 54.9 p -142.12 142.48 32.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.559 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 11.9 p90 -145.25 147.76 32.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 140.68 -106.66 0.49 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.47 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 59' ' ' ASP . 6.0 pt -121.62 159.77 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 111.098 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.89 158.86 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.588 0.709 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.504 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.4 Cg_endo -69.75 2.74 3.25 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.636 2.224 . . . . 0.0 112.406 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 93' ' ' LEU . 71.8 p -99.15 131.12 45.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.568 HD21 ' CE3' ' A' ' 120' ' ' TRP . 17.1 mt -34.93 -36.42 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 92' ' ' THR . 34.6 m-20 -44.1 141.07 1.85 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -78.64 169.18 18.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -145.7 132.39 19.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -110.71 139.98 45.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 9.0 tpt -77.38 142.42 39.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 84.7 m-70 -123.17 31.75 5.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -176.86 -169.05 37.67 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 66.5 mt -123.9 128.66 74.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.477 HG22 HG12 ' A' ' 71' ' ' ILE . 42.8 t -99.18 139.25 21.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.405 HH21 ' CA ' ' A' ' 48' ' ' GLY . 8.6 mtp180 -145.87 134.25 21.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.0 HG23 HD11 ' A' ' 51' ' ' ILE . 15.2 p -59.04 165.22 2.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.172 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.855 ' HG3' HG22 ' A' ' 68' ' ' THR . 3.6 mmpt? -108.34 -27.34 10.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.932 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 35.9 m -141.19 -178.4 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.155 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 107' ' ' ASP . 0.1 OUTLIER -94.38 162.66 13.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.865 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 16.1 t0 66.22 46.66 2.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.408 ' O ' HG23 ' A' ' 43' ' ' VAL . 34.5 m -94.02 128.58 40.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -97.84 143.83 28.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -146.4 172.3 13.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.779 HG21 ' SD ' ' A' ' 39' ' ' MET . 8.1 p -141.87 140.46 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.905 ' HB3' HD12 ' A' ' 40' ' ' ILE . 1.8 t -115.15 130.74 57.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.484 HD13 HD22 ' A' ' 35' ' ' LEU . 32.1 mt -133.61 127.61 53.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.089 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.37 150.71 34.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 119' ' ' TYR . 35.0 tt0 -60.97 -63.29 1.35 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.2 mp0 -37.53 -55.46 1.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.404 ' HB3' HG21 ' A' ' 38' ' ' VAL . 15.7 m-20 -61.81 -35.52 78.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.618 ' CE1' ' CE3' ' A' ' 61' ' ' TRP . 3.6 t80 -65.29 -36.95 85.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.919 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.568 ' CE3' HD21 ' A' ' 93' ' ' LEU . 45.0 t90 -94.05 3.11 55.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.542 ' HA ' HG21 ' A' ' 126' ' ' VAL . 8.8 tpt85 -101.53 -26.94 13.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.626 HG22 HG13 ' A' ' 31' ' ' VAL . 60.6 mt -89.19 -59.33 2.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.1 mp -56.43 -64.53 0.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.532 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 12.5 m-80 -52.97 -178.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -112.5 49.29 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 128' ' ' LYS . 84.2 t -40.47 136.07 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.148 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 126' ' ' VAL . 5.7 pm0 -34.89 -37.7 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . 0.566 ' H ' HG12 ' A' ' 126' ' ' VAL . 7.7 mmmm -124.89 92.91 3.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.9 p -75.97 168.31 20.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.83 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 86.0 132.69 3.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.514 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 91.88 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 29.0 t -67.18 109.71 3.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.3 t -84.99 128.03 34.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.504 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -113.22 -46.91 3.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.878 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -49.54 123.19 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.75 150.53 2.25 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.532 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -86.76 149.92 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -92.27 122.27 34.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.83 158.69 10.83 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -74.18 -42.82 59.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.328 . . . . 0.0 110.835 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -132.55 80.14 1.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.857 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -83.32 -47.06 11.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.5 mt -58.1 -45.11 88.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.076 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -46.21 -60.91 2.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 74.8 mt-30 -60.93 -13.26 14.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 tt -86.92 -45.34 10.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 18' ' ' MET . 22.8 mt -56.44 -65.99 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HA ' ' CE1' ' A' ' 19' ' ' HIS . 6.3 pt-20 -38.87 -36.0 0.24 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.467 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 1.5 t80 -75.03 -38.92 61.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 24' ' ' PHE . 11.1 mmm -57.4 -49.7 75.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.579 ' CE1' ' HA ' ' A' ' 16' ' ' GLU . 0.9 OUTLIER -70.26 -23.12 62.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.441 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 4.6 mm100 -67.31 -13.58 62.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.596 HD22 ' HA2' ' A' ' 84' ' ' GLY . 77.5 mt -103.8 144.86 29.52 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -39.83 5.99 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.325 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.81 -26.64 68.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' A' ' 18' ' ' MET . 2.7 m-85 -97.56 -25.08 15.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.852 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.98 -34.34 12.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -51.65 -40.38 59.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.512 ' SD ' HG11 ' A' ' 31' ' ' VAL . 13.0 mtt -87.73 166.08 14.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.0 t -108.37 173.36 6.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.184 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 14.4 mmm -41.55 -59.74 1.52 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.938 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 t -39.38 -69.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG11 ' SD ' ' A' ' 27' ' ' MET . 19.9 t -44.47 -56.63 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -47.7 -47.0 30.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 27.0 mtt85 -61.17 -49.44 77.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' N ' ' OE1' ' A' ' 34' ' ' GLU . 0.2 OUTLIER -56.9 -50.74 71.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 -179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD22 HD13 ' A' ' 114' ' ' ILE . 27.7 mt -51.99 -48.35 64.47 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 22.6 t -47.09 -20.21 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t -76.73 -36.23 57.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 118' ' ' ASP . 25.8 m -114.4 23.75 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.158 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.951 ' SD ' HD11 ' A' ' 114' ' ' ILE . 1.5 mmt -90.93 119.37 31.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.7 mt -86.75 140.62 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' C ' ' OE1' ' A' ' 42' ' ' GLU . 47.6 m-85 -97.0 126.9 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.853 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.45 ' OE1' ' C ' ' A' ' 41' ' ' PHE . 20.5 mp0 -143.33 145.72 32.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.866 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.9 p -151.56 124.77 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.545 HG11 ' HB3' ' A' ' 49' ' ' ALA . 84.5 t -93.55 126.51 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -93.21 -36.94 12.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -83.69 112.66 20.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.64 167.6 1.98 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.084 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 58.98 24.14 57.87 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.548 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HB3' HG11 ' A' ' 44' ' ' VAL . . . -81.13 140.05 35.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.728 0.299 . . . . 0.0 111.106 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.713 ' N ' HD12 ' A' ' 50' ' ' ILE . 2.2 mp -78.7 117.6 24.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.932 HD11 HG23 ' A' ' 104' ' ' THR . 4.9 mm -83.26 -40.51 16.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 37.3 mt -143.79 172.44 12.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -134.21 133.7 41.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' HB2' ' CA ' ' A' ' 100' ' ' GLY . 2.5 t70 -56.57 124.93 19.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.848 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 88.63 33.79 9.82 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -119.56 110.94 17.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.802 0.334 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.442 ' HG3' ' CE1' ' A' ' 97' ' ' TYR . 8.1 tt0 -46.68 99.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.445 HD12 ' O ' ' A' ' 96' ' ' GLN . 4.1 mt -65.7 126.75 29.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 p-10 -129.72 28.67 5.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.0 m -171.64 142.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.5 t90 -86.57 138.5 31.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.937 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.436 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 37.2 m-85 -120.1 135.59 54.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 98.6 t -136.46 120.56 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 16.3 mt -54.4 119.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.586 HD11 ' HB ' ' A' ' 112' ' ' VAL . 92.8 mt -97.09 -41.31 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -156.0 135.46 12.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.79 -170.52 20.1 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.3 m -122.26 150.13 42.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.853 0.359 . . . . 0.0 111.11 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.481 HG11 ' HE2' ' A' ' 111' ' ' PHE . 31.1 m -133.62 133.44 57.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 -112.68 131.53 55.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.664 ' O ' HG13 ' A' ' 78' ' ' VAL . 51.8 mt -107.67 140.23 26.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.108 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 6.3 t -124.11 147.77 47.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -117.31 146.77 39.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.557 0.694 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.49 37.67 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.653 2.236 . . . . 0.0 112.353 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -77.99 -47.36 18.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 145.98 37.68 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.507 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.6 tttt -136.54 149.41 48.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.664 HG13 ' O ' ' A' ' 71' ' ' ILE . 31.8 t -138.37 116.38 12.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -88.23 158.47 18.48 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.897 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -133.07 111.56 11.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.931 HD22 ' CG ' ' A' ' 85' ' ' ASN . 66.3 mt -106.41 154.81 20.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 83' ' ' MET . 42.4 m-85 -132.88 160.15 37.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 82' ' ' PHE . 17.2 ttt -36.52 109.94 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.596 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 134.97 -33.29 2.48 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.931 ' CG ' HD22 ' A' ' 81' ' ' LEU . 7.8 t-20 -68.2 174.17 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 110.897 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 14.1 p -145.23 136.16 24.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 34.1 p90 -143.96 146.81 33.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.43 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 145.52 -112.7 0.66 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.483 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.7 pt -119.91 -178.52 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.6 p -103.41 157.93 32.85 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.551 0.691 . . . . 0.0 111.157 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.73 1.37 4.48 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.618 2.212 . . . . 0.0 112.378 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.467 ' O ' ' N ' ' A' ' 94' ' ' ASP . 71.7 p -100.23 135.47 41.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.511 HD21 ' CE3' ' A' ' 120' ' ' TRP . 42.8 mt -35.87 -32.09 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 92' ' ' THR . 7.9 m-20 -46.54 143.64 2.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -104.61 161.7 13.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.445 ' O ' HD12 ' A' ' 58' ' ' LEU . 1.6 pt20 -156.48 147.92 22.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.442 ' CE1' ' HG3' ' A' ' 57' ' ' GLU . 3.6 m-85 -103.59 160.57 14.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 12.7 tpt -69.8 151.41 45.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -122.62 34.0 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.417 ' CA ' ' HB2' ' A' ' 54' ' ' ASP . . . 164.63 -167.81 38.62 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.3 mt -116.48 140.94 36.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.874 0.369 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 41.1 t -115.11 130.88 68.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.4 mtt85 -142.93 130.81 21.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.932 HG23 HD11 ' A' ' 51' ' ' ILE . 37.2 p -61.24 158.44 14.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.59 -28.89 13.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.8 m -137.52 -176.62 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.139 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.22 168.86 9.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.7 t70 70.61 26.4 3.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 67.3 m -81.1 136.73 35.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -112.1 143.5 43.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.481 ' HE2' HG11 ' A' ' 69' ' ' VAL . 70.6 m-85 -142.58 164.92 28.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.604 HG21 ' SD ' ' A' ' 39' ' ' MET . 9.3 p -129.0 148.49 33.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.1 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.436 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 21.5 m -127.77 147.82 50.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.951 HD11 ' SD ' ' A' ' 39' ' ' MET . 63.1 mt -146.53 125.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.52 129.26 39.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 119' ' ' TYR . 34.8 tt0 -40.87 -64.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.894 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 116' ' ' GLN . 30.7 mm-40 -36.48 -59.28 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.589 ' HB3' HG21 ' A' ' 38' ' ' VAL . 20.2 m-20 -63.62 -30.42 71.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 10.0 t80 -72.23 -19.31 61.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.545 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 43.4 t90 -110.19 2.38 19.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 45.7 mtp180 -98.18 -15.26 19.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.434 HG22 HG22 ' A' ' 31' ' ' VAL . 57.4 mt -101.97 -69.08 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.7 mp -46.42 -46.26 18.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.53 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 10.9 m-80 -72.4 -175.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -121.42 54.3 1.13 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 3.5 p -82.72 136.29 23.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.139 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -54.17 145.38 17.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? 60.11 41.84 16.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 56.3 p -80.15 -177.39 6.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 64.83 122.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -10.81 29.5 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.693 2.262 . . . . 0.0 112.32 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 92.8 p -162.34 154.11 18.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 18.2 m -147.43 164.12 34.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.0 p -164.96 172.06 13.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.924 0.393 . . . . 0.0 110.824 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -108.24 4.16 24.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.82 -159.63 25.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.5 m -138.88 148.51 43.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 110.908 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 t -117.77 102.76 9.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.855 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.81 -158.35 9.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -106.76 -58.34 1.94 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.855 0.36 . . . . 0.0 110.864 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -117.92 74.94 0.97 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -66.56 -49.56 66.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 60.5 mt -50.56 -33.52 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -70.44 -32.75 70.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -79.45 -18.93 51.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' SG ' ' A' ' 36' ' ' CYS . 4.0 mt -91.79 -62.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 HD21 ' N ' ' A' ' 33' ' ' ARG . 14.3 mt -35.7 -55.53 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.6 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 12.0 pt-20 -56.24 -40.58 74.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.79 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.2 t80 -67.28 -37.07 82.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.512 ' HE3' ' CE1' ' A' ' 24' ' ' PHE . 38.9 mtp -62.1 -11.93 16.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 16' ' ' GLU . 0.1 OUTLIER -81.4 -7.42 59.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.826 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -103.76 -15.51 15.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.945 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.79 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 30.9 mt -97.3 137.73 21.17 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.609 0.718 . . . . 0.0 110.899 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -43.66 2.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.727 2.285 . . . . 0.0 112.3 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.01 -28.41 57.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.512 ' CE1' ' HE3' ' A' ' 18' ' ' MET . 30.4 m-85 -95.51 -51.65 4.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.14 -32.86 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -52.42 -49.07 65.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.849 ' SD ' HD11 ' A' ' 35' ' ' LEU . 7.1 mtt -72.02 174.95 6.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' C ' ' A' ' 29' ' ' MET . 8.9 t -96.67 160.58 14.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.418 ' C ' ' O ' ' A' ' 28' ' ' THR . 1.1 tpt -36.59 -68.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' MET . 39.4 m -38.43 -66.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.85 -179.788 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.525 HG11 ' HB3' ' A' ' 27' ' ' MET . 20.3 t -38.09 -59.06 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.139 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.606 ' HA ' HD12 ' A' ' 35' ' ' LEU . 84.2 mtt180 -39.13 -58.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.863 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.498 ' N ' HD21 ' A' ' 15' ' ' LEU . 1.9 tmt_? -53.44 -54.99 28.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.553 ' HB2' HG21 ' A' ' 122' ' ' ILE . 13.7 mm-40 -46.56 -47.5 19.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.849 HD11 ' SD ' ' A' ' 27' ' ' MET . 13.6 mt -51.53 -52.01 50.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.542 ' SG ' HD13 ' A' ' 14' ' ' LEU . 6.6 t -55.91 -16.09 4.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t -72.87 -31.84 65.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.4 m -122.38 19.23 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 5.7 mtt -74.75 134.58 41.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.608 ' O ' HG23 ' A' ' 112' ' ' VAL . 59.4 mt -97.16 151.18 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -109.77 109.38 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -141.92 132.81 25.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.847 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 109' ' ' CYS . 6.9 p -141.89 129.03 20.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 89.7 t -84.36 127.2 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.129 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -88.37 -34.13 17.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -95.18 123.53 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.98 176.54 2.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 51.0 33.38 29.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.23 144.28 25.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.754 0.312 . . . . 0.0 111.09 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.72 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.6 mp -81.07 117.66 27.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.071 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.009 HD11 HG23 ' A' ' 104' ' ' THR . 3.8 mm -83.16 -40.94 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 48.1 mt -145.19 172.91 12.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -133.06 143.19 49.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -63.93 126.8 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 93.37 23.52 24.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.511 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -107.73 122.27 46.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.774 0.321 . . . . 0.0 110.901 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -58.31 91.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.507 HD13 ' O ' ' A' ' 88' ' ' GLY . 5.6 mt -65.66 124.86 23.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -126.63 -8.69 6.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.4 m -123.98 139.82 53.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 119' ' ' TYR . 26.1 t90 -91.56 119.03 31.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.917 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.578 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 6.8 m-85 -101.18 145.9 28.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.775 HG22 ' HB3' ' A' ' 86' ' ' SER . 58.6 t -138.26 139.55 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 11.3 mt -80.74 123.6 37.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.403 HD11 ' HB ' ' A' ' 112' ' ' VAL . 70.6 mt -107.48 -35.18 6.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -153.21 134.54 14.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 102.55 -169.85 19.75 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 95.8 m -132.72 133.54 43.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.331 . . . . 0.0 111.152 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.3 m -113.19 141.51 28.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -116.62 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.859 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.6 mt -111.36 134.59 53.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 m -118.07 140.1 50.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -111.86 148.34 38.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -17.98 36.88 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.646 2.231 . . . . 0.0 112.331 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.11 -49.69 16.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 147.45 34.18 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 ttmt -127.72 146.86 50.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 82.5 t -133.91 101.63 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -77.11 159.59 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -140.39 106.85 5.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.897 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.06 HD22 ' CG ' ' A' ' 85' ' ' ASN . 15.3 mt -99.85 153.55 19.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -128.61 166.79 18.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 25.9 ttt -39.7 110.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.651 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 135.09 -34.19 2.35 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 1.06 ' CG ' HD22 ' A' ' 81' ' ' LEU . 1.4 t30 -74.74 170.2 16.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.785 0.326 . . . . 0.0 110.912 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.775 ' HB3' HG22 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -145.6 146.07 31.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.824 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 10.4 p90 -142.22 151.45 42.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.507 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 140.5 -112.04 0.77 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.528 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.419 HG22 ' HB2' ' A' ' 58' ' ' LEU . 7.2 pt -115.32 -175.44 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -111.33 160.2 30.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.477 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 54.2 Cg_endo -69.72 0.53 5.48 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.662 2.241 . . . . 0.0 112.34 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' ASP . 46.7 p -96.85 131.24 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 20.7 mt -37.82 -30.37 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.943 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.47 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.7 m-20 -48.69 150.53 1.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -89.89 175.36 7.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.47 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 6.5 mp0 -150.41 165.42 33.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -139.14 132.53 30.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 10.0 tpt -65.07 139.4 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -120.53 32.29 6.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 178.18 178.98 48.02 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 68.3 mt -114.41 117.8 56.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.7 t -89.55 141.63 14.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mtm180 -149.47 130.84 14.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.009 HG23 HD11 ' A' ' 51' ' ' ILE . 70.9 p -60.1 158.99 10.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.156 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 15.0 mmmt -104.44 -34.53 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 13.8 m -130.0 -179.38 3.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.166 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -93.39 168.1 11.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.4 t0 61.22 48.42 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.713 ' O ' HG23 ' A' ' 43' ' ' VAL . 35.9 m -93.16 127.93 38.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -99.22 145.46 27.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.562 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 64.6 m-85 -152.32 153.37 33.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 40' ' ' ILE . 13.6 p -126.41 142.23 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.162 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.578 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 63.1 m -120.19 143.56 48.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 119' ' ' TYR . 74.6 mt -136.61 119.54 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.123 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -53.82 136.81 39.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 119' ' ' TYR . 32.8 tt0 -49.35 -64.6 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 116' ' ' GLN . 2.4 mp0 -36.94 -61.5 0.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -63.23 -30.32 71.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.1 t80 -71.32 -23.36 61.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.55 ' O ' ' CG ' ' A' ' 120' ' ' TRP . 9.9 t90 -104.28 -2.31 25.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -98.86 -0.13 43.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.553 HG21 ' HB2' ' A' ' 34' ' ' GLU . 72.5 mt -112.75 -59.92 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.9 mp -59.24 -35.2 73.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -84.99 -175.78 5.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -115.84 54.04 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.49 HG21 ' CH2' ' A' ' 120' ' ' TRP . 79.3 t -73.86 -47.59 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.149 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -130.59 144.86 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 6.1 mmmm -49.66 -55.83 12.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 1.8 t -96.15 173.36 7.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.866 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -79.94 -157.71 14.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.535 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -26.87 26.95 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 54.8 p -85.24 120.25 26.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 49.2 m -62.76 177.63 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 p -142.73 171.49 13.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.845 0.355 . . . . 0.0 110.859 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t -112.26 -46.98 3.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.25 -136.99 13.71 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.512 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 m -65.92 100.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -164.3 140.42 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.846 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.88 152.14 19.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -60.66 -44.28 96.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.805 0.336 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -79.09 51.88 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -53.82 -46.12 71.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 27.0 mm -52.52 -69.18 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -40.61 -58.51 1.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -53.08 -33.44 52.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -69.81 -51.12 36.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 33' ' ' ARG . 0.5 OUTLIER -56.93 -59.28 5.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.527 ' O ' ' CD2' ' A' ' 19' ' ' HIS . 5.3 pt-20 -46.7 -31.97 3.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.517 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 2.6 t80 -82.99 -37.68 23.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.551 ' SD ' ' CG ' ' A' ' 24' ' ' PHE . 28.3 mmm -49.0 -20.39 0.52 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.548 ' CD2' ' N ' ' A' ' 20' ' ' GLN . 0.2 OUTLIER -69.84 -35.36 74.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.548 ' N ' ' CD2' ' A' ' 19' ' ' HIS . 22.8 mt-30 -60.46 -38.69 85.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.916 HD12 ' CD2' ' A' ' 24' ' ' PHE . 0.9 OUTLIER -83.95 133.81 45.15 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.664 0.745 . . . . 0.0 110.913 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -37.56 9.01 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.697 2.264 . . . . 0.0 112.364 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.63 -34.28 75.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.092 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.916 ' CD2' HD12 ' A' ' 21' ' ' LEU . 21.7 m-85 -89.42 -48.5 7.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.66 -51.33 21.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -40.94 -41.15 1.56 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.853 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 15.0 mtt -69.43 176.74 3.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 29' ' ' MET . 1.3 p -103.46 158.41 16.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 28' ' ' THR . 14.7 tpt -35.89 -56.75 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 51.7 m -49.69 -66.09 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.631 HG13 HG22 ' A' ' 122' ' ' ILE . 93.9 t -46.87 -54.84 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 28' ' ' THR . 44.9 mtt180 -45.69 -57.88 3.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.439 ' HB2' HD11 ' A' ' 15' ' ' LEU . 3.7 tmt_? -57.8 -58.34 8.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -40.46 -44.52 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.463 ' HA ' HG22 ' A' ' 38' ' ' VAL . 29.3 mt -62.54 -45.68 91.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.6 t -59.72 -14.59 14.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -97.03 -8.01 31.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' A' ' 35' ' ' LEU . 26.5 m -130.12 8.62 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.127 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.505 ' HE2' ' HB3' ' A' ' 39' ' ' MET . 2.1 ptp -103.13 135.9 43.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.552 HG22 ' N ' ' A' ' 41' ' ' PHE . 30.6 mt -82.39 160.68 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.159 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.552 ' N ' HG22 ' A' ' 40' ' ' ILE . 35.2 m-85 -111.23 109.36 19.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.855 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -133.5 150.0 51.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.1 p -153.26 120.84 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 64.3 t -84.04 129.85 36.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -93.92 -39.19 10.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -85.29 106.73 16.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.495 ' HB2' ' CG ' ' A' ' 107' ' ' ASP . . . -52.94 -175.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.167 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 44.0 33.23 2.62 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.5 141.37 28.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.791 0.329 . . . . 0.0 111.063 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.728 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.6 mp -79.54 110.95 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.077 HD11 HG23 ' A' ' 104' ' ' THR . 4.1 mm -74.28 -42.19 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.17 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.426 HD13 ' CD2' ' A' ' 58' ' ' LEU . 64.3 mt -146.09 161.34 40.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -115.71 141.62 47.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -56.93 129.72 42.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.03 62.28 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -93.11 117.85 30.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.73 0.3 . . . . 0.0 110.925 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -53.05 93.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.63 HD13 ' O ' ' A' ' 88' ' ' GLY . 6.3 mt -64.48 117.76 7.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' O ' HD13 ' A' ' 89' ' ' ILE . 44.4 t0 -121.59 -28.96 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.471 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 1.4 m -108.78 132.44 53.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -77.06 139.42 40.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.472 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 61.6 m-85 -118.32 128.87 55.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.737 HG11 ' CE2' ' A' ' 24' ' ' PHE . 53.7 t -122.6 126.2 73.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.134 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.618 HD11 ' CG2' ' A' ' 69' ' ' VAL . 95.5 mt -66.78 110.45 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 94.4 mt -91.45 -36.9 13.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -157.8 140.07 14.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.888 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 95.67 -176.63 33.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.517 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.558 HG23 ' O ' ' A' ' 81' ' ' LEU . 16.0 m -124.96 135.12 52.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 111.163 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.618 ' CG2' HD11 ' A' ' 64' ' ' ILE . 20.3 m -116.46 132.22 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.094 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -104.21 129.18 51.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.543 ' O ' HG13 ' A' ' 78' ' ' VAL . 36.6 mt -104.3 138.7 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.129 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 p -115.73 129.2 56.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.811 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -101.61 146.31 32.01 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.617 0.723 . . . . 0.0 110.847 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.16 32.49 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.35 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -72.94 -39.43 66.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.94 32.63 0.3 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.466 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.48 161.31 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.812 0.339 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 71' ' ' ILE . 71.6 t -143.62 115.44 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -85.12 147.78 26.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -120.43 106.86 12.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.564 HD22 ' HB3' ' A' ' 85' ' ' ASN . 40.0 mt -99.52 159.75 14.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -135.64 170.18 16.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 5.5 ttt -45.43 121.03 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.472 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 112.99 -28.92 8.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.493 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . 0.564 ' HB3' HD22 ' A' ' 81' ' ' LEU . 5.9 m120 -66.4 161.39 22.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.854 0.359 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 79.0 p -129.81 161.27 31.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.825 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 30.4 p90 -169.94 151.81 4.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.865 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.63 ' O ' HD13 ' A' ' 58' ' ' LEU . . . 135.93 -104.12 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.498 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.45 ' CG2' ' C ' ' A' ' 58' ' ' LEU . 7.6 pt -113.13 -178.49 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 111.105 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.0 160.68 26.51 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.614 0.721 . . . . 0.0 111.15 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.27 3.7 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.711 2.274 . . . . 0.0 112.325 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.1 p -97.23 148.98 22.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.596 HD21 ' CE3' ' A' ' 120' ' ' TRP . 18.3 mt -58.46 -19.17 34.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -60.26 149.59 32.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -96.29 168.39 10.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.476 ' CD ' ' N ' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -152.69 161.69 42.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.582 ' O ' ' CD2' ' A' ' 99' ' ' HIS . 17.2 m-85 -125.17 134.86 52.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.939 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.451 ' SD ' HD21 ' A' ' 58' ' ' LEU . 10.6 tpt -61.31 136.35 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.582 ' CD2' ' O ' ' A' ' 97' ' ' TYR . 43.2 m-70 -115.9 34.99 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -179.23 -166.78 35.64 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 36.4 mt -126.59 122.6 61.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.856 0.36 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 16.5 t -93.11 134.88 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.126 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -149.34 132.18 16.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.077 HG23 HD11 ' A' ' 51' ' ' ILE . 74.6 p -63.11 160.06 16.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -109.33 -21.72 12.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 10.5 m -137.08 177.72 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.495 ' CG ' ' HB2' ' A' ' 47' ' ' ALA . 0.4 OUTLIER -93.32 175.46 6.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.844 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 54.53 41.56 31.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 5.6 m -87.75 128.09 35.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -99.94 145.21 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -146.85 168.74 20.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 63' ' ' VAL . 2.2 p -140.86 140.07 33.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.088 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.472 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 6.3 m -114.62 123.49 49.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 19.3 mt -121.62 130.7 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -64.73 136.99 57.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.065 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 119' ' ' TYR . 20.3 tt0 -50.03 -61.35 2.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.933 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -44.22 -51.06 8.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -66.35 -24.01 66.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.411 ' N ' ' O ' ' A' ' 116' ' ' GLN . 10.8 t80 -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.596 ' CE3' HD21 ' A' ' 93' ' ' LEU . 34.7 t90 -110.55 0.28 17.6 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.527 ' HG2' HG11 ' A' ' 126' ' ' VAL . 23.0 mtm180 -105.51 -12.08 16.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.631 HG22 HG13 ' A' ' 31' ' ' VAL . 89.5 mt -100.89 -53.75 7.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.0 mp -65.93 -58.68 5.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.487 ' ND2' ' CD1' ' A' ' 120' ' ' TRP . 12.2 m-80 -54.99 -175.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -94.29 55.12 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.527 HG11 ' HG2' ' A' ' 121' ' ' ARG . 97.6 t -104.12 148.17 9.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.427 ' C ' ' O ' ' A' ' 126' ' ' VAL . 44.7 mt-10 -36.03 103.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -80.84 96.0 6.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 2.1 t -123.05 108.8 13.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.416 ' HA2' ' HD2' ' A' ' 131' ' ' PRO . . . -39.32 100.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.475 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.416 ' HD2' ' HA2' ' A' ' 130' ' ' GLY . 53.6 Cg_endo -69.8 168.5 21.42 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 0.0 112.302 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 23.3 t -92.87 147.2 23.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 31.9 t -137.42 135.08 36.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.842 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.491 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -72.82 -55.25 6.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 m -72.71 142.35 48.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.94 -109.98 0.28 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.488 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.2 t -78.78 -51.31 9.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.87 0.366 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -87.33 88.33 7.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.92 84.73 0.46 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.493 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -84.85 -53.39 5.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -113.63 43.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -47.41 -54.43 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.5 mm -44.85 -49.84 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.082 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -59.75 -49.57 77.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -59.12 -23.66 62.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.948 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 14' ' ' LEU . 5.4 tp -86.94 -39.79 15.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.6 mt -60.78 -52.49 64.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -46.4 -34.33 4.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.586 ' CZ ' HD11 ' A' ' 21' ' ' LEU . 3.1 t80 -70.08 -54.75 11.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.551 ' HG2' ' CD2' ' A' ' 24' ' ' PHE . 17.8 mtp -50.94 -35.23 32.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.514 ' CD2' HH12 ' A' ' 32' ' ' ARG . 12.2 t-80 -58.17 -30.81 66.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -73.12 -48.18 37.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.586 HD11 ' CZ ' ' A' ' 17' ' ' PHE . 24.5 mt -62.48 140.35 96.69 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.588 0.708 . . . . 0.0 110.917 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -38.35 7.78 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.36 -26.44 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CD2' ' HG2' ' A' ' 18' ' ' MET . 38.8 m-85 -103.27 -26.77 12.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.67 -50.3 68.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' ' HG3' ' A' ' 27' ' ' MET . 15.7 p-10 -41.16 -50.27 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.429 ' HG3' ' ND2' ' A' ' 26' ' ' ASN . 17.7 mtt -73.34 167.16 21.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -96.66 175.84 6.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 30' ' ' SER . 0.4 OUTLIER -51.25 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 179.921 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' MET . 1.4 t -37.78 -64.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.842 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.463 HG12 HD11 ' A' ' 35' ' ' LEU . 70.3 t -43.49 -52.83 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.139 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 35' ' ' LEU . 85.7 mtt180 -53.53 -55.54 24.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.5 -50.6 59.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 -56.09 -41.38 75.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.627 HD12 ' HA ' ' A' ' 32' ' ' ARG . 9.7 mt -63.94 -46.54 84.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 71.5 m -54.92 -20.72 9.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -90.17 -17.89 26.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' HA ' ' A' ' 35' ' ' LEU . 17.2 m -120.97 18.0 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.153 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.676 ' SD ' HG21 ' A' ' 112' ' ' VAL . 2.8 ptp -111.36 145.26 39.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.592 ' O ' HG23 ' A' ' 112' ' ' VAL . 6.7 mt -100.17 147.15 7.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -103.57 115.36 30.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -125.71 148.3 49.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 70.3 t -138.73 113.78 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 87.0 t -84.46 123.23 38.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -93.63 -44.75 8.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -82.7 114.53 21.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.939 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.85 170.86 1.04 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 60.43 9.36 11.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.467 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.48 141.01 58.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.719 ' N ' HD12 ' A' ' 50' ' ' ILE . 1.3 mp -80.54 121.34 33.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 1.011 HD11 HG23 ' A' ' 104' ' ' THR . 4.0 mm -90.81 -40.27 12.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.533 ' HB2' HG23 ' A' ' 102' ' ' VAL . 78.1 mt -144.13 150.14 37.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -111.55 143.78 41.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.416 ' CA ' ' O ' ' A' ' 100' ' ' GLY . 15.3 p-10 -60.44 126.37 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.41 25.97 41.29 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.52 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -106.05 107.28 18.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.757 0.313 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -39.53 106.51 0.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.912 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.452 ' HB3' ' CG2' ' A' ' 89' ' ' ILE . 11.5 mt -74.73 107.61 6.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.915 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' O ' ' CG ' ' A' ' 59' ' ' ASP . 0.7 OUTLIER -124.33 37.59 4.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.843 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.49 ' O ' ' CE1' ' A' ' 62' ' ' TYR . 69.2 p -173.16 129.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.418 ' N ' HG12 ' A' ' 89' ' ' ILE . 25.6 t90 -79.45 143.11 35.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.497 ' CE2' ' SG ' ' A' ' 113' ' ' CYS . 48.2 m-85 -122.05 149.81 43.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.454 HG11 ' CE2' ' A' ' 24' ' ' PHE . 63.8 t -142.66 126.23 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 15.9 mt -72.35 105.22 2.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.67 -42.63 17.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -152.05 148.96 28.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 91.87 -173.02 36.08 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.509 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 85.6 m -128.78 137.93 51.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.45 HG12 HG22 ' A' ' 104' ' ' THR . 20.8 m -121.61 151.83 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.142 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -124.39 136.93 54.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.84 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 88.0 mt -110.51 137.71 41.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 p -114.34 121.25 43.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.819 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -96.48 147.44 32.95 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.631 0.729 . . . . 0.0 110.838 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -20.23 34.95 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.741 2.294 . . . . 0.0 112.307 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -75.24 -32.78 61.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 126.39 29.84 0.89 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.467 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.52 149.33 44.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 87.4 t -130.06 109.31 17.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.133 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -81.98 146.72 29.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -123.41 110.2 14.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -107.3 153.68 22.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -134.52 170.84 15.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' MET . . . . . . . . . . . . . 24.9 ttt -42.8 118.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.439 ' HA2' HD22 ' A' ' 21' ' ' LEU . . . 119.83 -31.06 5.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.51 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 m120 -72.44 162.59 29.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 110.89 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 60.4 p -134.18 146.26 49.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CE1' ' HB2' ' A' ' 62' ' ' TYR . 9.5 p90 -151.77 156.5 40.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 131.72 -132.77 6.87 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.452 ' CG2' ' HB3' ' A' ' 58' ' ' LEU . 23.9 pt -88.47 -175.09 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.932 0.396 . . . . 0.0 111.119 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.01 160.52 33.44 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.586 0.708 . . . . 0.0 111.179 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.508 ' HA ' ' CD2' ' A' ' 119' ' ' TYR . 53.6 Cg_endo -69.75 2.42 3.55 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.72 2.28 . . . . 0.0 112.327 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 94' ' ' ASP . 30.1 p -103.69 135.47 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.186 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.894 HD21 ' CE3' ' A' ' 120' ' ' TRP . 15.3 mt -41.63 -26.01 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.408 ' O ' ' NE2' ' A' ' 96' ' ' GLN . 2.1 m-20 -47.58 132.41 13.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -92.58 146.93 23.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -136.64 163.52 30.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -126.86 140.2 52.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.0 tpt -59.16 130.35 46.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.903 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.8 m-70 -106.95 28.35 8.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.827 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.416 ' O ' ' CA ' ' A' ' 54' ' ' ASP . . . -174.77 -156.65 14.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.81 120.18 26.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.888 0.375 . . . . 0.0 111.158 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.533 HG23 ' HB2' ' A' ' 52' ' ' LEU . 9.7 t -90.77 136.87 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.187 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -150.19 131.08 14.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 1.011 HG23 HD11 ' A' ' 51' ' ' ILE . 73.2 p -65.34 159.85 23.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -111.14 -24.11 10.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 31.8 m -131.17 -176.62 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.18 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.22 173.86 6.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.19 25.51 15.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.528 ' HB3' ' CE2' ' A' ' 111' ' ' PHE . 19.1 m -72.74 130.89 41.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -103.21 136.42 43.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 109' ' ' CYS . 82.5 m-85 -141.28 166.37 24.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' VAL . . . . . 0.676 HG21 ' SD ' ' A' ' 39' ' ' MET . 7.7 p -141.98 140.33 30.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' CYS . . . . . 0.497 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 1.8 m -113.49 140.2 48.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.404 HD13 HD22 ' A' ' 35' ' ' LEU . 26.7 mt -138.6 125.32 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.21 158.03 2.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -75.11 -54.5 7.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -48.49 -42.53 33.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.406 ' HA ' ' CG ' ' A' ' 121' ' ' ARG . 14.3 m-20 -75.92 -26.23 56.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.818 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.508 ' CD2' ' HA ' ' A' ' 91' ' ' PRO . 11.8 t80 -80.05 -8.94 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TRP . . . . . 0.894 ' CE3' HD21 ' A' ' 93' ' ' LEU . 32.8 t90 -114.33 -10.55 12.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.406 ' CG ' ' HA ' ' A' ' 118' ' ' ASP . 0.1 OUTLIER -98.2 -21.92 16.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.872 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.445 HG22 HG13 ' A' ' 31' ' ' VAL . 94.2 mt -87.61 -54.39 8.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.084 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.6 mp -65.54 -70.95 0.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -52.04 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . . . . . . . . . 28.4 t-80 -110.5 53.16 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.2 t -68.76 141.31 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.122 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -59.92 147.47 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.18 41.88 10.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 57.2 p -54.36 168.82 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 92.01 120.75 2.67 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.435 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 132' ' ' SER . 54.0 Cg_endo -69.74 159.17 54.43 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.657 2.238 . . . . 0.0 112.349 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 131' ' ' PRO . 40.5 t -35.58 121.63 0.61 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 4.9 t -89.81 111.1 22.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.501 -179.999 . . . . . . . . 0 0 . 1 stop_ save_